Triazines

Aromatic organic compounds that consist of a six-membered ring containing three nitrogen atoms, and three carbon atoms.

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Pyrrolo[2,1-f][1,2,4]triazin-4-amine, Thermo Scientific Chemicals

CAS: 159326-68-8 Molecular Formula: C6H6N4 Molecular Weight (g/mol): 134.14 MDL Number: MFCD08234647 InChI Key: VSPXQZSDPSOPRO-UHFFFAOYSA-N IUPAC Name: pyrrolo[2,1-f][1,2,4]triazin-4-amine SMILES: NC1=NC=NN2C=CC=C12

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CAS	159326-68-8
Molecular Weight (g/mol)	134.14
MDL Number	MFCD08234647
SMILES	NC1=NC=NN2C=CC=C12
IUPAC Name	pyrrolo[2,1-f][1,2,4]triazin-4-amine
InChI Key	VSPXQZSDPSOPRO-UHFFFAOYSA-N
Molecular Formula	C6H6N4

Thermo Scientific Chemicals Oxonic acid, potassium salt, 97.5%

CAS: 2207-75-2 Molecular Formula: C4H2KN3O4 Molecular Weight (g/mol): 195.18 MDL Number: MFCD00010565 InChI Key: IAPCTXZQXAVYNG-UHFFFAOYSA-M Synonym: potassium oxonate,oteracil potassium,oxonic acid potassium salt,allantoxanic acid potassium salt,potassium azaorotate,oxonic acid, potassium salt,oxonate, potassium,oxonate,allantoxanic acid PubChem CID: 2723920 ChEBI: CHEBI:80230 IUPAC Name: potassium;4,6-dioxo-1H-1,3,5-triazine-2-carboxylate SMILES: [K+].[O-]C(=O)C1=NC(=O)NC(=O)N1

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Specifications

PubChem CID	2723920
CAS	2207-75-2
Molecular Weight (g/mol)	195.18
ChEBI	CHEBI:80230
MDL Number	MFCD00010565
SMILES	[K+].[O-]C(=O)C1=NC(=O)NC(=O)N1
Synonym	potassium oxonate,oteracil potassium,oxonic acid potassium salt,allantoxanic acid potassium salt,potassium azaorotate,oxonic acid, potassium salt,oxonate, potassium,oxonate,allantoxanic acid
IUPAC Name	potassium;4,6-dioxo-1H-1,3,5-triazine-2-carboxylate
InChI Key	IAPCTXZQXAVYNG-UHFFFAOYSA-M
Molecular Formula	C4H2KN3O4

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6-Azauracil, 98%

CAS: 461-89-2 Molecular Formula: C3H3N3O2 Molecular Weight (g/mol): 113.08 MDL Number: MFCD00006456 InChI Key: SSPYSWLZOPCOLO-UHFFFAOYSA-N Synonym: 6-azauracil,1,2,4-triazine-3,5 2h,4h-dione,azauracil,1,2,4-triazine-3,5-diol,4 6-azauracil,as-triazine-3,5-diol,as-triazine-3,5 2h,4h-dione,1,2,4-triazine-3,5-dione,usaf cb-30,unii-i14twn70lr PubChem CID: 68037 ChEBI: CHEBI:53745 IUPAC Name: 2H-1,2,4-triazine-3,5-dione SMILES: O=C1NN=CC(=O)N1

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PubChem CID	68037
CAS	461-89-2
Molecular Weight (g/mol)	113.08
ChEBI	CHEBI:53745
MDL Number	MFCD00006456
SMILES	O=C1NN=CC(=O)N1
Synonym	6-azauracil,1,2,4-triazine-3,5 2h,4h-dione,azauracil,1,2,4-triazine-3,5-diol,4 6-azauracil,as-triazine-3,5-diol,as-triazine-3,5 2h,4h-dione,1,2,4-triazine-3,5-dione,usaf cb-30,unii-i14twn70lr
IUPAC Name	2H-1,2,4-triazine-3,5-dione
InChI Key	SSPYSWLZOPCOLO-UHFFFAOYSA-N
Molecular Formula	C3H3N3O2

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3-Amino-1,2,4-triazine, 97%

CAS: 1120-99-6 Molecular Formula: C₃H₄N₄ Molecular Weight (g/mol): 96.09 MDL Number: MFCD00006459 InChI Key: MJIWQHRXSLOUJN-UHFFFAOYSA-N Synonym: 3-amino-1,2,4-triazine,as-triazine, 3-amino,3-amino-as-triazine,1,2,4-triazin-3-ylamine,1,2,4-triazine-3-ylamine,1,2,4 triazin-3-ylamine,zlchem 1277,1,2,4-triazine-3-amine,3-amino-1,2,4,-triazine PubChem CID: 70715 IUPAC Name: 1,2,4-triazin-3-amine SMILES: C1=CN=NC(=N1)N

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Specifications

PubChem CID	70715
CAS	1120-99-6
Molecular Weight (g/mol)	96.09
MDL Number	MFCD00006459
SMILES	C1=CN=NC(=N1)N
Synonym	3-amino-1,2,4-triazine,as-triazine, 3-amino,3-amino-as-triazine,1,2,4-triazin-3-ylamine,1,2,4-triazine-3-ylamine,1,2,4 triazin-3-ylamine,zlchem 1277,1,2,4-triazine-3-amine,3-amino-1,2,4,-triazine
IUPAC Name	1,2,4-triazin-3-amine
InChI Key	MJIWQHRXSLOUJN-UHFFFAOYSA-N
Molecular Formula	C₃H₄N₄

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5,6-Diphenyl-3-(2-pyridyl)-1,2 4-triazine, 99%

CAS: 1046-56-6 Molecular Formula: C20H14N4 Molecular Weight (g/mol): 310.36 MDL Number: MFCD00006462 InChI Key: OTMYLOBWDNFTLO-UHFFFAOYSA-N Synonym: 3-2-pyridyl-5,6-diphenyl-1,2,4-triazine,5,6-diphenyl-3-2-pyridyl-1,2,4-triazine,1,2,4-triazine, 5,6-diphenyl-3-2-pyridinyl,5,6-diphenyl-3-pyridin-2-yl-1,2,4-triazine,as-triazine, 5,6-diphenyl-3-2-pyridyl,5,6-diphenyl-3-2-pyridinyl-1,2,4-triazine,maybridge1_007490,bio7c7,acmc-1boy4,cbmicro_025706 PubChem CID: 70588 SMILES: C1=CC=C(C=C1)C1=NN=C(N=C1C1=CC=CC=C1)C1=CC=CC=N1

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Specifications

PubChem CID	70588
CAS	1046-56-6
Molecular Weight (g/mol)	310.36
MDL Number	MFCD00006462
SMILES	C1=CC=C(C=C1)C1=NN=C(N=C1C1=CC=CC=C1)C1=CC=CC=N1
Synonym	3-2-pyridyl-5,6-diphenyl-1,2,4-triazine,5,6-diphenyl-3-2-pyridyl-1,2,4-triazine,1,2,4-triazine, 5,6-diphenyl-3-2-pyridinyl,5,6-diphenyl-3-pyridin-2-yl-1,2,4-triazine,as-triazine, 5,6-diphenyl-3-2-pyridyl,5,6-diphenyl-3-2-pyridinyl-1,2,4-triazine,maybridge1_007490,bio7c7,acmc-1boy4,cbmicro_025706
InChI Key	OTMYLOBWDNFTLO-UHFFFAOYSA-N
Molecular Formula	C20H14N4

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Cyanuric chloride, 98%

CAS: 108-77-0 Molecular Formula: C3Cl3N3 Molecular Weight (g/mol): 184.40 MDL Number: MFCD00006046 InChI Key: MGNCLNQXLYJVJD-UHFFFAOYSA-N Synonym: cyanuric chloride,cyanuryl chloride,cyanuric acid chloride,s-triazine trichloride,trichlorocyanidine,cyanuric trichloride,tricyanogen chloride,sym-trichlorotriazine,cyanur chloride,trichloro-s-triazine PubChem CID: 7954 ChEBI: CHEBI:58964 SMILES: ClC1=NC(Cl)=NC(Cl)=N1

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PubChem CID	7954
CAS	108-77-0
Molecular Weight (g/mol)	184.40
ChEBI	CHEBI:58964
MDL Number	MFCD00006046
SMILES	ClC1=NC(Cl)=NC(Cl)=N1
Synonym	cyanuric chloride,cyanuryl chloride,cyanuric acid chloride,s-triazine trichloride,trichlorocyanidine,cyanuric trichloride,tricyanogen chloride,sym-trichlorotriazine,cyanur chloride,trichloro-s-triazine
InChI Key	MGNCLNQXLYJVJD-UHFFFAOYSA-N
Molecular Formula	C3Cl3N3

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Trichloroisocyanuric acid, 99%

CAS: 87-90-1 Molecular Formula: C3Cl3N3O3 Molecular Weight (g/mol): 232.40 MDL Number: MFCD00006553 InChI Key: YRIZYWQGELRKNT-UHFFFAOYSA-N Synonym: trichloroisocyanuric acid,symclosene,trichlorocyanuric acid,symclosen,isocyanuric chloride,fichlor 91,trichloro-s-triazinetrione,trichloroisocyanic acid,fi clor 91,chloreal PubChem CID: 6909 ChEBI: CHEBI:33015 SMILES: ClN1C(=O)N(Cl)C(=O)N(Cl)C1=O

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Specifications

PubChem CID	6909
CAS	87-90-1
Molecular Weight (g/mol)	232.40
ChEBI	CHEBI:33015
MDL Number	MFCD00006553
SMILES	ClN1C(=O)N(Cl)C(=O)N(Cl)C1=O
Synonym	trichloroisocyanuric acid,symclosene,trichlorocyanuric acid,symclosen,isocyanuric chloride,fichlor 91,trichloro-s-triazinetrione,trichloroisocyanic acid,fi clor 91,chloreal
InChI Key	YRIZYWQGELRKNT-UHFFFAOYSA-N
Molecular Formula	C3Cl3N3O3

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6-Aza-2-thiothymine, 98%

CAS: 615-76-9 Molecular Formula: C4H5N3OS Molecular Weight (g/mol): 143.164 MDL Number: MFCD00006458 InChI Key: NKOPQOSBROLOFP-UHFFFAOYSA-N Synonym: 6-aza-2-thiothymine,2-thio-6-azathymine,6-azathiothymine,6-methyl-3-thioxo-3,4-dihydro-1,2,4-triazin-5 2h-one,3-mercapto-6-methyl-1,2,4-triazin-5 2h-one,1,2,4-triazin-5 2h-one, 3,4-dihydro-6-methyl-3-thioxo,3-mercapto-6-methyl-as-triazin-5-ol,as-triazin-5-ol, 3-mercapto-6-methyl,6-methyl-3-sulfanyl-1,2,4-triazin-5-ol,3,4-dihydro-6-methyl-3-thioxo-1,2,4-triazin-5 2h-one PubChem CID: 1263666 IUPAC Name: 6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one SMILES: CC1=NNC(=S)NC1=O

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Specifications

PubChem CID	1263666
CAS	615-76-9
Molecular Weight (g/mol)	143.164
MDL Number	MFCD00006458
SMILES	CC1=NNC(=S)NC1=O
Synonym	6-aza-2-thiothymine,2-thio-6-azathymine,6-azathiothymine,6-methyl-3-thioxo-3,4-dihydro-1,2,4-triazin-5 2h-one,3-mercapto-6-methyl-1,2,4-triazin-5 2h-one,1,2,4-triazin-5 2h-one, 3,4-dihydro-6-methyl-3-thioxo,3-mercapto-6-methyl-as-triazin-5-ol,as-triazin-5-ol, 3-mercapto-6-methyl,6-methyl-3-sulfanyl-1,2,4-triazin-5-ol,3,4-dihydro-6-methyl-3-thioxo-1,2,4-triazin-5 2h-one
IUPAC Name	6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one
InChI Key	NKOPQOSBROLOFP-UHFFFAOYSA-N
Molecular Formula	C4H5N3OS

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Cyanuric fluoride, 98%

CAS: 675-14-9 Molecular Formula: C3F3N3 MDL Number: MFCD00014597 InChI Key: VMKJWLXVLHBJNK-UHFFFAOYSA-N Synonym: cyanuric fluoride,trifluorotriazine,cyanuric trifluoride,trifluoro-s-triazine,1,3,5-triazine, 2,4,6-trifluoro,2,4,6-trifluoro-s-triazine,s-triazine, 2,4,6-trifluoro,cyanuryl fluoride,unii-31kw4s5fbb,s-triazine, 2,4,6-trifluro PubChem CID: 12664

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PubChem CID	12664
CAS	675-14-9
MDL Number	MFCD00014597
Synonym	cyanuric fluoride,trifluorotriazine,cyanuric trifluoride,trifluoro-s-triazine,1,3,5-triazine, 2,4,6-trifluoro,2,4,6-trifluoro-s-triazine,s-triazine, 2,4,6-trifluoro,cyanuryl fluoride,unii-31kw4s5fbb,s-triazine, 2,4,6-trifluro
InChI Key	VMKJWLXVLHBJNK-UHFFFAOYSA-N
Molecular Formula	C3F3N3

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Dichloroisocyanuric acid sodium salt, 97% (dry wt.)

CAS: 2893-78-9 Molecular Formula: C3HCl2N3NaO3 Molecular Weight (g/mol): 220.949 MDL Number: MFCD00006036 InChI Key: UNWRHVZXVVTASG-UHFFFAOYSA-N Synonym: sodium dichlorocyanuric acid,1,3,5-triazine-2,4,6 1h,3h,5h-trione, 1,3-dichloro-, sodium salt PubChem CID: 86657659 IUPAC Name: 1,3-dichloro-1,3,5-triazinane-2,4,6-trione;sodium SMILES: C1(=O)NC(=O)N(C(=O)N1Cl)Cl.[Na]

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Specifications

PubChem CID	86657659
CAS	2893-78-9
Molecular Weight (g/mol)	220.949
MDL Number	MFCD00006036
SMILES	C1(=O)NC(=O)N(C(=O)N1Cl)Cl.[Na]
Synonym	sodium dichlorocyanuric acid,1,3,5-triazine-2,4,6 1h,3h,5h-trione, 1,3-dichloro-, sodium salt
IUPAC Name	1,3-dichloro-1,3,5-triazinane-2,4,6-trione;sodium
InChI Key	UNWRHVZXVVTASG-UHFFFAOYSA-N
Molecular Formula	C3HCl2N3NaO3

6-Azathymine, 98%

CAS: 932-53-6 Molecular Formula: C4H5N3O2 Molecular Weight (g/mol): 127.10 MDL Number: MFCD00006457,MFCD00127802 InChI Key: XZWMZFQOHTWGQE-UHFFFAOYSA-N Synonym: 6-azathymine,6-methyl-1,2,4-triazine-3,5 2h,4h-dione,5-methyl-6-azauracil,azathymine,usaf cb-28,1,2,4-triazine-3,5 2h,4h-dione, 6-methyl,6-methyl-1,2,4-triazine-3,5-diol,6-methyl-1,2,4-triazine-3,5-dione,unii-zwx58t58za,azathymine, 6 PubChem CID: 70269 SMILES: CC1=NNC(=O)NC1=O

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Specifications

PubChem CID	70269
CAS	932-53-6
Molecular Weight (g/mol)	127.10
MDL Number	MFCD00006457,MFCD00127802
SMILES	CC1=NNC(=O)NC1=O
Synonym	6-azathymine,6-methyl-1,2,4-triazine-3,5 2h,4h-dione,5-methyl-6-azauracil,azathymine,usaf cb-28,1,2,4-triazine-3,5 2h,4h-dione, 6-methyl,6-methyl-1,2,4-triazine-3,5-diol,6-methyl-1,2,4-triazine-3,5-dione,unii-zwx58t58za,azathymine, 6
InChI Key	XZWMZFQOHTWGQE-UHFFFAOYSA-N
Molecular Formula	C4H5N3O2

5-Aza-2'-deoxycytidine, 98%

CAS: 2353-33-5 Molecular Formula: C9H13N3O4 Molecular Weight (g/mol): 227.22 MDL Number: MFCD00006547 InChI Key: CKTSBUTUHBMZGZ-SHYZEUOFSA-N Synonym: decitabine,5-aza-2'-deoxycytidine,dacogen,5-azadeoxycytidine,2'-deoxy-5-azacytidine,azadc,dezocitidine,5-aza-cdr,5-aza-dc,dacogen tn PubChem CID: 451668 ChEBI: CHEBI:50131 IUPAC Name: 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one SMILES: NC1=NC(=O)N(C=C1)[C@H]1C[C@H](O)[C@@H](CO)O1

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Specifications

PubChem CID	451668
CAS	2353-33-5
Molecular Weight (g/mol)	227.22
ChEBI	CHEBI:50131
MDL Number	MFCD00006547
SMILES	NC1=NC(=O)N(C=C1)[C@H]1C[C@H](O)[C@@H](CO)O1
Synonym	decitabine,5-aza-2'-deoxycytidine,dacogen,5-azadeoxycytidine,2'-deoxy-5-azacytidine,azadc,dezocitidine,5-aza-cdr,5-aza-dc,dacogen tn
IUPAC Name	4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one
InChI Key	CKTSBUTUHBMZGZ-SHYZEUOFSA-N
Molecular Formula	C9H13N3O4

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Lamotrigine, 98%

CAS: 84057-84-1 Molecular Formula: C9H7Cl2N5 Molecular Weight (g/mol): 256.09 MDL Number: MFCD00865333 InChI Key: PYZRQGJRPPTADH-UHFFFAOYSA-N Synonym: lamotrigine,6-2,3-dichlorophenyl-1,2,4-triazine-3,5-diamine,lamictal,lamictal cd,lamotrigina,lamotriginum,lamictal xr,lamotriginum latin,lamotrigina spanish,lamictal odt PubChem CID: 3878 ChEBI: CHEBI:6367 IUPAC Name: 6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine SMILES: NC1=NN=C(C(N)=N1)C1=CC=CC(Cl)=C1Cl

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Specifications

PubChem CID	3878
CAS	84057-84-1
Molecular Weight (g/mol)	256.09
ChEBI	CHEBI:6367
MDL Number	MFCD00865333
SMILES	NC1=NN=C(C(N)=N1)C1=CC=CC(Cl)=C1Cl
Synonym	lamotrigine,6-2,3-dichlorophenyl-1,2,4-triazine-3,5-diamine,lamictal,lamictal cd,lamotrigina,lamotriginum,lamictal xr,lamotriginum latin,lamotrigina spanish,lamictal odt
IUPAC Name	6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine
InChI Key	PYZRQGJRPPTADH-UHFFFAOYSA-N
Molecular Formula	C9H7Cl2N5

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N,N,N',N'-Tetramethyl-O-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)uronium tetrafluoroborate, 98+%, Thermo Scientific Chemicals

CAS: 125700-69-8 Molecular Formula: C12H16BF4N5O2 Molecular Weight (g/mol): 349.10 MDL Number: MFCD00077730 InChI Key: FOBCPCIJLQTYBT-UHFFFAOYSA-N Synonym: tdbtu,n,n,n',n'-tetramethyl-o-3,4-dihydro-4-oxo-1,2,3-benzotriazin-3-yl uronium tetrafluoroborate,o-3,4-dihydro-4-oxo-1,2,3-benzotriazin-3-yl-n,n,n',n'-tetramethyluronium tetrafluoroborate,1,1,3,3-tetramethyl-2-4-oxobenzo d 1,2,3 triazin-3 4h-yl uronium tetrafluoroborate,o-3,4-dihydro-4-oxo-1,2,3-benzotriazin-3-yl-n,n,n',n'-tetramethyluroniumtetrafluoroborate,tdbtu; n,n,n',n'-tetramethyl-o-3,4-dihydro-4-oxo-1,2,3-benzotriazin-3-yl uronium tetrafluoroborate,dimethylamino 4-oxo-1,2,3-benzotriazin-3-yl oxy methylidene dimethylazanium tetrafluoroborate,pubchem12760,acmc-1cac0,d04fkx PubChem CID: 10882602 IUPAC Name: [dimethylamino-[(4-oxo-1,2,3-benzotriazin-3-yl)oxy]methylidene]-dimethylazanium;tetrafluoroborate SMILES: F[B-](F)(F)F.CN(C)C(ON1N=NC2=CC=CC=C2C1=O)=[N+](C)C

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Specifications

PubChem CID	10882602
CAS	125700-69-8
Molecular Weight (g/mol)	349.10
MDL Number	MFCD00077730
SMILES	F[B-](F)(F)F.CN(C)C(ON1N=NC2=CC=CC=C2C1=O)=[N+](C)C
Synonym	tdbtu,n,n,n',n'-tetramethyl-o-3,4-dihydro-4-oxo-1,2,3-benzotriazin-3-yl uronium tetrafluoroborate,o-3,4-dihydro-4-oxo-1,2,3-benzotriazin-3-yl-n,n,n',n'-tetramethyluronium tetrafluoroborate,1,1,3,3-tetramethyl-2-4-oxobenzo d 1,2,3 triazin-3 4h-yl uronium tetrafluoroborate,o-3,4-dihydro-4-oxo-1,2,3-benzotriazin-3-yl-n,n,n',n'-tetramethyluroniumtetrafluoroborate,tdbtu; n,n,n',n'-tetramethyl-o-3,4-dihydro-4-oxo-1,2,3-benzotriazin-3-yl uronium tetrafluoroborate,dimethylamino 4-oxo-1,2,3-benzotriazin-3-yl oxy methylidene dimethylazanium tetrafluoroborate,pubchem12760,acmc-1cac0,d04fkx
IUPAC Name	[dimethylamino-[(4-oxo-1,2,3-benzotriazin-3-yl)oxy]methylidene]-dimethylazanium;tetrafluoroborate
InChI Key	FOBCPCIJLQTYBT-UHFFFAOYSA-N
Molecular Formula	C12H16BF4N5O2

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Triallyl-s-triazine-2,4,6(1H,3H,5H)-trione, 98%, Stabilized

CAS: 1025-15-6 Molecular Formula: C₁₂H₁₅N₃O₃ Molecular Weight (g/mol): 249.27 MDL Number: MFCD00006554 InChI Key: KOMNUTZXSVSERR-UHFFFAOYSA-N Synonym: triallyl isocyanurate,isocyanuric acid triallyl ester,1,3,5-triallyl-1,3,5-triazinane-2,4,6-trione,triallylisocyanurate,taic,diak 7,1,3,5-triallylisocyanurate,1,3,5-triallyl isocyanurate,1,3,5-triallylisocyanuric acid,1,3,5-tri-2-propenyl-1,3,5-triazine-2,4,6 1h,3h,5h-trione PubChem CID: 13931 IUPAC Name: 1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione SMILES: C=CCN1C(=O)N(C(=O)N(C1=O)CC=C)CC=C

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Specifications

PubChem CID	13931
CAS	1025-15-6
Molecular Weight (g/mol)	249.27
MDL Number	MFCD00006554
SMILES	C=CCN1C(=O)N(C(=O)N(C1=O)CC=C)CC=C
Synonym	triallyl isocyanurate,isocyanuric acid triallyl ester,1,3,5-triallyl-1,3,5-triazinane-2,4,6-trione,triallylisocyanurate,taic,diak 7,1,3,5-triallylisocyanurate,1,3,5-triallyl isocyanurate,1,3,5-triallylisocyanuric acid,1,3,5-tri-2-propenyl-1,3,5-triazine-2,4,6 1h,3h,5h-trione
IUPAC Name	1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
InChI Key	KOMNUTZXSVSERR-UHFFFAOYSA-N
Molecular Formula	C₁₂H₁₅N₃O₃

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