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Azoles

Organic compounds that consist of five-membered heterocyclic molecules containing a nitrogen atom and at least one other non-carbon atom as part of the ring.
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1 – 15 of 906 results
1

5-(Bromomethyl)-1-methyl-1H-1,2,3-benzotriazole, 90+%, Thermo Scientific™

CAS: 499770-76-2 Molecular Formula: C8H8BrN3 Molecular Weight (g/mol): 226.077 InChI Key: OSUZHHPMRAIJDY-UHFFFAOYSA-N Synonym: 5-bromomethyl-1-methyl-1h-benzo d 1,2,3 triazole,5-bromomethyl-1-methyl-1h-1,2,3-benzotriazole,5-bromomethyl-1-methylbenzotriazole,5-bromomethyl-1-methyl-benzotriazole,1h-benzotriazole, 5-bromomethyl-1-methyl,5-bromomethyl-1-methyl-1,2,3-benzotriazole,5-bromomethyl-1-methyl-1h-benzotriazole PubChem CID: 2795418 IUPAC Name: 5-(bromomethyl)-1-methylbenzotriazole SMILES: CN1C2=C(C=C(C=C2)CBr)N=N1

PubChem CID 2795418
CAS 499770-76-2
Molecular Weight (g/mol) 226.077
SMILES CN1C2=C(C=C(C=C2)CBr)N=N1
Synonym 5-bromomethyl-1-methyl-1h-benzo d 1,2,3 triazole,5-bromomethyl-1-methyl-1h-1,2,3-benzotriazole,5-bromomethyl-1-methylbenzotriazole,5-bromomethyl-1-methyl-benzotriazole,1h-benzotriazole, 5-bromomethyl-1-methyl,5-bromomethyl-1-methyl-1,2,3-benzotriazole,5-bromomethyl-1-methyl-1h-benzotriazole
IUPAC Name 5-(bromomethyl)-1-methylbenzotriazole
InChI Key OSUZHHPMRAIJDY-UHFFFAOYSA-N
Molecular Formula C8H8BrN3
2

3-(Bromomethyl)-5-methylisoxazole, 97%, Thermo Scientific™

CAS: 130628-75-0 Molecular Formula: C5H6BrNO Molecular Weight (g/mol): 176.01 MDL Number: MFCD02677720 InChI Key: ASGJFGPILHALRC-UHFFFAOYSA-N Synonym: 3-bromomethyl-5-methylisoxazole,3-bromomethyl-5-methyl-1,2-oxazole,3-bromomethyl-5-methyl-isoxazole,isoxazole,3-bromomethyl-5-methyl,zlchem 1313,acmc-1ca86,3-bromomethyl-5-methylisoxazol,5-brimomethyl-3-methylisoxazle PubChem CID: 2776304 IUPAC Name: 3-(bromomethyl)-5-methyl-1,2-oxazole SMILES: CC1=CC(CBr)=NO1

PubChem CID 2776304
CAS 130628-75-0
Molecular Weight (g/mol) 176.01
MDL Number MFCD02677720
SMILES CC1=CC(CBr)=NO1
Synonym 3-bromomethyl-5-methylisoxazole,3-bromomethyl-5-methyl-1,2-oxazole,3-bromomethyl-5-methyl-isoxazole,isoxazole,3-bromomethyl-5-methyl,zlchem 1313,acmc-1ca86,3-bromomethyl-5-methylisoxazol,5-brimomethyl-3-methylisoxazle
IUPAC Name 3-(bromomethyl)-5-methyl-1,2-oxazole
InChI Key ASGJFGPILHALRC-UHFFFAOYSA-N
Molecular Formula C5H6BrNO
3

4-(Bromomethyl)-5-methyl-3-phenylisoxazole, 97%, Thermo Scientific™

CAS: 180597-83-5 Molecular Formula: C11H10BrNO Molecular Weight (g/mol): 252.11 MDL Number: MFCD02677680 InChI Key: UICMWXWMCOJBIQ-UHFFFAOYSA-N PubChem CID: 2776147 IUPAC Name: 4-(bromomethyl)-5-methyl-3-phenyl-1,2-oxazole SMILES: CC1=C(CBr)C(=NO1)C1=CC=CC=C1

PubChem CID 2776147
CAS 180597-83-5
Molecular Weight (g/mol) 252.11
MDL Number MFCD02677680
SMILES CC1=C(CBr)C(=NO1)C1=CC=CC=C1
IUPAC Name 4-(bromomethyl)-5-methyl-3-phenyl-1,2-oxazole
InChI Key UICMWXWMCOJBIQ-UHFFFAOYSA-N
Molecular Formula C11H10BrNO
4

2,5-Dimethyl-1,3-oxazole-4-carboxylic acid, 97%, Thermo Scientific™

CAS: 23000-14-8 Molecular Formula: C6H7NO3 Molecular Weight (g/mol): 141.126 MDL Number: MFCD03011595 InChI Key: LHGRUGVXZLHYKE-UHFFFAOYSA-N Synonym: 2,5-dimethyloxazole-4-carboxylic acid,dimethyl-1,3-oxazole-4-carboxylic acid,4-oxazolecarboxylic acid, 2,5-dimethyl,2,5-dimethyl-1,3-oxazole-4-carboxylicacid,4-carboxy-2,5-dimethyl-1,3-oxazole,2,5-dimethyl-oxazole-4-carboxylic acid,2.5-dimethyl-1,3-oxazole-4-carboxylic acid PubChem CID: 2795465 IUPAC Name: 2,5-dimethyl-1,3-oxazole-4-carboxylic acid SMILES: CC1=C(N=C(O1)C)C(=O)O

PubChem CID 2795465
CAS 23000-14-8
Molecular Weight (g/mol) 141.126
MDL Number MFCD03011595
SMILES CC1=C(N=C(O1)C)C(=O)O
Synonym 2,5-dimethyloxazole-4-carboxylic acid,dimethyl-1,3-oxazole-4-carboxylic acid,4-oxazolecarboxylic acid, 2,5-dimethyl,2,5-dimethyl-1,3-oxazole-4-carboxylicacid,4-carboxy-2,5-dimethyl-1,3-oxazole,2,5-dimethyl-oxazole-4-carboxylic acid,2.5-dimethyl-1,3-oxazole-4-carboxylic acid
IUPAC Name 2,5-dimethyl-1,3-oxazole-4-carboxylic acid
InChI Key LHGRUGVXZLHYKE-UHFFFAOYSA-N
Molecular Formula C6H7NO3
5

Methyl 1,2,4-triazole-3-carboxylate, 98%

CAS: 4928-88-5 Molecular Formula: C4H5N3O2 Molecular Weight (g/mol): 127.103 MDL Number: MFCD00135989 InChI Key: QMPFMODFBNEYJH-UHFFFAOYSA-N PubChem CID: 2735089 IUPAC Name: methyl 1H-1,2,4-triazole-5-carboxylate SMILES: COC(=O)C1=NC=NN1

PubChem CID 2735089
CAS 4928-88-5
Molecular Weight (g/mol) 127.103
MDL Number MFCD00135989
SMILES COC(=O)C1=NC=NN1
IUPAC Name methyl 1H-1,2,4-triazole-5-carboxylate
InChI Key QMPFMODFBNEYJH-UHFFFAOYSA-N
Molecular Formula C4H5N3O2
6

4-Amino-3-hydrazino-5-mercapto-1,2,4-triazole, 99+%, Thermo Scientific Chemicals

CAS: 1750-12-5 Molecular Formula: C2H6N6S Molecular Weight (g/mol): 146.172 MDL Number: MFCD00003098 InChI Key: RDIMQHBOTMWMJA-UHFFFAOYSA-N Synonym: 4-amino-3-hydrazino-5-mercapto-1,2,4-triazole,purpald,4-amino-3-hydrazino-1,2,4-triazol-5-thiol,1,2,4-triazolidin-3-one, 4-amino-5-thioxo-, hydrazone,purpald r,4-amino-5-hydrazino-1,2,4-triazole-3-thiol,1,2,4-triazolidin-3-one, 4-amino-5-thioxo-, 3-hydrazone,4-amino-5-hydrazinyl-4h-1,2,4-triazole-3-thiol,3h-1,2,4-triazole-3-thione, 4-amino-5-hydrazinyl-2,4-dihydro,4-amino-5-hydrazinyl-1,2,4-triazole-3-thiol PubChem CID: 2723946 IUPAC Name: 4-amino-3-hydrazinyl-1H-1,2,4-triazole-5-thione SMILES: C1(=S)NN=C(N1N)NN

PubChem CID 2723946
CAS 1750-12-5
Molecular Weight (g/mol) 146.172
MDL Number MFCD00003098
SMILES C1(=S)NN=C(N1N)NN
Synonym 4-amino-3-hydrazino-5-mercapto-1,2,4-triazole,purpald,4-amino-3-hydrazino-1,2,4-triazol-5-thiol,1,2,4-triazolidin-3-one, 4-amino-5-thioxo-, hydrazone,purpald r,4-amino-5-hydrazino-1,2,4-triazole-3-thiol,1,2,4-triazolidin-3-one, 4-amino-5-thioxo-, 3-hydrazone,4-amino-5-hydrazinyl-4h-1,2,4-triazole-3-thiol,3h-1,2,4-triazole-3-thione, 4-amino-5-hydrazinyl-2,4-dihydro,4-amino-5-hydrazinyl-1,2,4-triazole-3-thiol
IUPAC Name 4-amino-3-hydrazinyl-1H-1,2,4-triazole-5-thione
InChI Key RDIMQHBOTMWMJA-UHFFFAOYSA-N
Molecular Formula C2H6N6S
7

1,2,3-1H-Triazole, 97%

CAS: 288-36-8 Molecular Formula: C2H3N3 Molecular Weight (g/mol): 69.07 InChI Key: QWENRTYMTSOGBR-UHFFFAOYSA-N Synonym: 1h-1,2,3-triazole,1,2,3-triazole,2h-1,2,3-triazole,1,2,3-1h-triazole,triazole,triazol,osotriazole,v-triazole,1,2,3-triazol,1,2,3 triazole PubChem CID: 67516 ChEBI: CHEBI:35565 IUPAC Name: 2H-triazole SMILES: C1=NNN=C1

PubChem CID 67516
CAS 288-36-8
Molecular Weight (g/mol) 69.07
ChEBI CHEBI:35565
SMILES C1=NNN=C1
Synonym 1h-1,2,3-triazole,1,2,3-triazole,2h-1,2,3-triazole,1,2,3-1h-triazole,triazole,triazol,osotriazole,v-triazole,1,2,3-triazol,1,2,3 triazole
IUPAC Name 2H-triazole
InChI Key QWENRTYMTSOGBR-UHFFFAOYSA-N
Molecular Formula C2H3N3
8

1,2,4-Triazole, sodium salt, 90%, technical

CAS: 41253-21-8 Molecular Formula: C2H2N3Na Molecular Weight (g/mol): 91.05 MDL Number: MFCD00044437 InChI Key: NVMNEWNGLGACBB-UHFFFAOYSA-N Synonym: sodium 1,2,4-triazol-1-ide,1,2,4-triazolylsodium,1,2,4-triazole sodium derivative,1,2,4-triazole sodium salt,sodium 1,2,4-triazolide,1h-1,2,4-triazole, sodium salt,sodium 1h-1,2,4-triazolate,1,2,4-triazole sodium,sodium 1h-1,2,4-triazolide,1,2,4-triazole, sodium salt PubChem CID: 4649906 IUPAC Name: sodium;2,4-diaza-1-azanidacyclopenta-2,4-diene SMILES: C1=NC=N[N-]1.[Na+]

PubChem CID 4649906
CAS 41253-21-8
Molecular Weight (g/mol) 91.05
MDL Number MFCD00044437
SMILES C1=NC=N[N-]1.[Na+]
Synonym sodium 1,2,4-triazol-1-ide,1,2,4-triazolylsodium,1,2,4-triazole sodium derivative,1,2,4-triazole sodium salt,sodium 1,2,4-triazolide,1h-1,2,4-triazole, sodium salt,sodium 1h-1,2,4-triazolate,1,2,4-triazole sodium,sodium 1h-1,2,4-triazolide,1,2,4-triazole, sodium salt
IUPAC Name sodium;2,4-diaza-1-azanidacyclopenta-2,4-diene
InChI Key NVMNEWNGLGACBB-UHFFFAOYSA-N
Molecular Formula C2H2N3Na
9

3,5-Diamino-1,2,4-triazole, 98%

CAS: 1455-77-2 Molecular Formula: C2H5N5 Molecular Weight (g/mol): 99.09 MDL Number: MFCD00005233 InChI Key: PKWIYNIDEDLDCJ-UHFFFAOYSA-N Synonym: guanazole,3,5-diamino-1,2,4-triazole,4h-1,2,4-triazole-3,5-diamine,3,5-diamino-1h-1,2,4-triazole,3,5-diamino-s-triazole,s-triazole, 3,5-diamino,1,2,4-triazolidine, 3,5-diimino,unii-i01twm5267,ccris 3745,3-amino-1h-1,2,4-triazol-5-ylamine PubChem CID: 15078 ChEBI: CHEBI:75425 IUPAC Name: 1H-1,2,4-triazole-3,5-diamine SMILES: C1(=NC(=NN1)N)N

PubChem CID 15078
CAS 1455-77-2
Molecular Weight (g/mol) 99.09
ChEBI CHEBI:75425
MDL Number MFCD00005233
SMILES C1(=NC(=NN1)N)N
Synonym guanazole,3,5-diamino-1,2,4-triazole,4h-1,2,4-triazole-3,5-diamine,3,5-diamino-1h-1,2,4-triazole,3,5-diamino-s-triazole,s-triazole, 3,5-diamino,1,2,4-triazolidine, 3,5-diimino,unii-i01twm5267,ccris 3745,3-amino-1h-1,2,4-triazol-5-ylamine
IUPAC Name 1H-1,2,4-triazole-3,5-diamine
InChI Key PKWIYNIDEDLDCJ-UHFFFAOYSA-N
Molecular Formula C2H5N5
10

3-Amino-5-mercapto-1,2,4-triazole, 97+%

CAS: 16691-43-3 Molecular Formula: C2H4N4S Molecular Weight (g/mol): 116.14 MDL Number: MFCD00005231 InChI Key: WZUUZPAYWFIBDF-UHFFFAOYSA-N Synonym: 3-amino-5-mercapto-1,2,4-triazole,iminothiourazole,3-imino-5-thiourazole,3-amino-1h-1,2,4-triazole-5-thiol,5-amino-4h-1,2,4-triazole-3-thiol,3-amino-1,2,4-triazole-5-thiol,s-triazole-3-thiol, 5-amino,3h-1,2,4-triazole-3-thione, 5-amino-1,2-dihydro,5-amino-1,2-dihydro-3h-1,2,4-triazole-3-thione,unii-353f2d8l1z PubChem CID: 2723869 SMILES: NC1=NC(=S)NN1

PubChem CID 2723869
CAS 16691-43-3
Molecular Weight (g/mol) 116.14
MDL Number MFCD00005231
SMILES NC1=NC(=S)NN1
Synonym 3-amino-5-mercapto-1,2,4-triazole,iminothiourazole,3-imino-5-thiourazole,3-amino-1h-1,2,4-triazole-5-thiol,5-amino-4h-1,2,4-triazole-3-thiol,3-amino-1,2,4-triazole-5-thiol,s-triazole-3-thiol, 5-amino,3h-1,2,4-triazole-3-thione, 5-amino-1,2-dihydro,5-amino-1,2-dihydro-3h-1,2,4-triazole-3-thione,unii-353f2d8l1z
InChI Key WZUUZPAYWFIBDF-UHFFFAOYSA-N
Molecular Formula C2H4N4S
11

3-Mercapto-1,2,4-triazole, 98%

CAS: 3179-31-5 Molecular Formula: C2H3N3S Molecular Weight (g/mol): 101.13 MDL Number: MFCD00005229 InChI Key: AFBBKYQYNPNMAT-UHFFFAOYSA-N Synonym: 1h-1,2,4-triazole-3-thiol,3-mercapto-1,2,4-triazole,1,2,4-triazole-3-thiol,mercaptotriazole,4h-1,2,4-triazole-3-thiol,s-triazole-3-thiol,3-mercapto-1h-1,2,4-triazole,1,2,4-triazole-5-thiol,1,3,4-triazine-2-thiol,1,3,4-triazole-2-thiol PubChem CID: 2723802 SMILES: S=C1NNC=N1

PubChem CID 2723802
CAS 3179-31-5
Molecular Weight (g/mol) 101.13
MDL Number MFCD00005229
SMILES S=C1NNC=N1
Synonym 1h-1,2,4-triazole-3-thiol,3-mercapto-1,2,4-triazole,1,2,4-triazole-3-thiol,mercaptotriazole,4h-1,2,4-triazole-3-thiol,s-triazole-3-thiol,3-mercapto-1h-1,2,4-triazole,1,2,4-triazole-5-thiol,1,3,4-triazine-2-thiol,1,3,4-triazole-2-thiol
InChI Key AFBBKYQYNPNMAT-UHFFFAOYSA-N
Molecular Formula C2H3N3S
12

Thermo Scientific Chemicals Myclobutanil

CAS: 88671-89-0 Molecular Formula: C15H17ClN4 Molecular Weight (g/mol): 288.78 InChI Key: HZJKXKUJVSEEFU-UHFFFAOYNA-N IUPAC Name: 2-(4-chlorophenyl)-2-[(1H-1,2,4-triazol-1-yl)methyl]hexanenitrile SMILES: CCCCC(CN1C=NC=N1)(C#N)C1=CC=C(Cl)C=C1

CAS 88671-89-0
Molecular Weight (g/mol) 288.78
SMILES CCCCC(CN1C=NC=N1)(C#N)C1=CC=C(Cl)C=C1
IUPAC Name 2-(4-chlorophenyl)-2-[(1H-1,2,4-triazol-1-yl)methyl]hexanenitrile
InChI Key HZJKXKUJVSEEFU-UHFFFAOYNA-N
Molecular Formula C15H17ClN4
13

PYBOP™, 99%

CAS: 128625-52-5 Molecular Formula: C18H28F6N6OP2 Molecular Weight (g/mol): 520.39 MDL Number: MFCD00077411 InChI Key: VIAFLMPQBHAMLI-UHFFFAOYSA-N Synonym: pybop,1h-benzo d 1,2,3 triazol-1-yl oxy tri pyrrolidin-1-yl phosphonium hexafluorophosphate v,benzotriazol-1-yloxy tripyrrolidinophosphonium hexafluorophosphate,benzotriazole-1-yl-oxytripyrrolidinophosphonium hexafluorophosphate,benzotriazol-1-yl-oxytripyrrolidinophosphonium hexafluorophosphate,1h-benzotriazol-1-yloxytripyrrolidinophosphonium hexafluorophosphate,benzotriazol-1-yloxytris pyrrolidino phosphonium hexafluorophosphate,benzotriazole-1-yl-oxy-tris-pyrrolidino-phosphonium hexafluorophosphate,benzotriazol-1-yl-oxy-tripyrrolidinophosphonium hexafluorophosphate,benzotriazol-1-yl-oxytripyrrolidinphosphonium hexafluorophosphate PubChem CID: 2724699 IUPAC Name: benzotriazol-1-yloxy(tripyrrolidin-1-yl)phosphanium;hexafluorophosphate SMILES: C1CCN(C1)[P+](N2CCCC2)(N3CCCC3)ON4C5=CC=CC=C5N=N4.F[P-](F)(F)(F)(F)F

PubChem CID 2724699
CAS 128625-52-5
Molecular Weight (g/mol) 520.39
MDL Number MFCD00077411
SMILES C1CCN(C1)[P+](N2CCCC2)(N3CCCC3)ON4C5=CC=CC=C5N=N4.F[P-](F)(F)(F)(F)F
Synonym pybop,1h-benzo d 1,2,3 triazol-1-yl oxy tri pyrrolidin-1-yl phosphonium hexafluorophosphate v,benzotriazol-1-yloxy tripyrrolidinophosphonium hexafluorophosphate,benzotriazole-1-yl-oxytripyrrolidinophosphonium hexafluorophosphate,benzotriazol-1-yl-oxytripyrrolidinophosphonium hexafluorophosphate,1h-benzotriazol-1-yloxytripyrrolidinophosphonium hexafluorophosphate,benzotriazol-1-yloxytris pyrrolidino phosphonium hexafluorophosphate,benzotriazole-1-yl-oxy-tris-pyrrolidino-phosphonium hexafluorophosphate,benzotriazol-1-yl-oxy-tripyrrolidinophosphonium hexafluorophosphate,benzotriazol-1-yl-oxytripyrrolidinphosphonium hexafluorophosphate
IUPAC Name benzotriazol-1-yloxy(tripyrrolidin-1-yl)phosphanium;hexafluorophosphate
InChI Key VIAFLMPQBHAMLI-UHFFFAOYSA-N
Molecular Formula C18H28F6N6OP2
14

6-Bromo-[1,2,4]triazolo[1,5-a]pyridine, 96%, Thermo Scientific Chemicals

CAS: 356560-80-0 Molecular Formula: C6H4BrN3 Molecular Weight (g/mol): 198.023 MDL Number: MFCD08689534 InChI Key: CXRXKDSDRWLKTK-UHFFFAOYSA-N Synonym: 6-bromo-1,2,4 triazolo 1,5-a pyridine,6-bromo 1,2,4 triazolo 1,5-a pyridine,1,2,4 triazolo 1,5-a pyridine, 6-bromo,6-bromo-1,2,4-triazolo-1,5-a-pyridine,6-bromo-1,2,4-triazolo 1,5-a pyridine,1,2,4 triazolo 1,5-a pyridine,6-bromo,6-bromanyl-1,2,4 triazolo 1,5-a pyridine,6-bromo 1,2,4 triazolo 1,5-alpha pyridine,tert-butyl 6e-7-4-4-fluorophenyl-6-isopropyl-2-methyl methylsulfonyl amino pyrimidin-5-yl-3r,5s-3,5-dihydroxyhept-6-enoate PubChem CID: 11513934 IUPAC Name: 6-bromo-[1,2,4]triazolo[1,5-a]pyridine SMILES: C1=CC2=NC=NN2C=C1Br

PubChem CID 11513934
CAS 356560-80-0
Molecular Weight (g/mol) 198.023
MDL Number MFCD08689534
SMILES C1=CC2=NC=NN2C=C1Br
Synonym 6-bromo-1,2,4 triazolo 1,5-a pyridine,6-bromo 1,2,4 triazolo 1,5-a pyridine,1,2,4 triazolo 1,5-a pyridine, 6-bromo,6-bromo-1,2,4-triazolo-1,5-a-pyridine,6-bromo-1,2,4-triazolo 1,5-a pyridine,1,2,4 triazolo 1,5-a pyridine,6-bromo,6-bromanyl-1,2,4 triazolo 1,5-a pyridine,6-bromo 1,2,4 triazolo 1,5-alpha pyridine,tert-butyl 6e-7-4-4-fluorophenyl-6-isopropyl-2-methyl methylsulfonyl amino pyrimidin-5-yl-3r,5s-3,5-dihydroxyhept-6-enoate
IUPAC Name 6-bromo-[1,2,4]triazolo[1,5-a]pyridine
InChI Key CXRXKDSDRWLKTK-UHFFFAOYSA-N
Molecular Formula C6H4BrN3
15

3-Amino-1H-1,2,4-triazole, 96%

CAS: 61-82-5 Molecular Formula: C2H4N4 Molecular Weight (g/mol): 84.08 MDL Number: MFCD00005230,MFCD00053362 InChI Key: KLSJWNVTNUYHDU-UHFFFAOYSA-N Synonym: 3-amino-1,2,4-triazole,amitrole,aminotriazole,4h-1,2,4-triazol-3-amine,1h-1,2,4-triazol-3-amine,amitrol,amerol,amizol,emisol,vorox PubChem CID: 1639 ChEBI: CHEBI:40036 IUPAC Name: 1H-1,2,4-triazol-5-amine SMILES: NC1=NC=NN1

PubChem CID 1639
CAS 61-82-5
Molecular Weight (g/mol) 84.08
ChEBI CHEBI:40036
MDL Number MFCD00005230,MFCD00053362
SMILES NC1=NC=NN1
Synonym 3-amino-1,2,4-triazole,amitrole,aminotriazole,4h-1,2,4-triazol-3-amine,1h-1,2,4-triazol-3-amine,amitrol,amerol,amizol,emisol,vorox
IUPAC Name 1H-1,2,4-triazol-5-amine
InChI Key KLSJWNVTNUYHDU-UHFFFAOYSA-N
Molecular Formula C2H4N4