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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.
Imidazoles (618)
Thiazoles (270)
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Triazoles (182)
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1 – 15 of 832 results
1

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
2

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
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

3-Amino-5-hydroxy-1H-pyrazole, 98%

CAS: 6126-22-3 Molecular Formula: C3H5N3O Molecular Weight (g/mol): 99.093 MDL Number: MFCD00022384 InChI Key: QZBGOTVBHYKUDS-UHFFFAOYSA-N Synonym: 3-amino-5-hydroxypyrazole,3-amino-1h-pyrazol-5-ol,5-amino-1h-pyrazol-3-ol,5-amino-1h-pyrazol-3 2h-one,3-amino-1,2-dihydropyrazol-5-one,5-aminopyrazol-3-ol,5-amino-2h-pyrazol-3-ol,3-pyrazolin-5-one, 3-amino,5-amino-2,3-dihydro-1h-pyrazol-3-one,1h-pyrazol-5-ol, 3-amino PubChem CID: 96221 IUPAC Name: 5-amino-1,2-dihydropyrazol-3-one SMILES: C1=C(NNC1=O)N

PubChem CID 96221
CAS 6126-22-3
Molecular Weight (g/mol) 99.093
MDL Number MFCD00022384
SMILES C1=C(NNC1=O)N
Synonym 3-amino-5-hydroxypyrazole,3-amino-1h-pyrazol-5-ol,5-amino-1h-pyrazol-3-ol,5-amino-1h-pyrazol-3 2h-one,3-amino-1,2-dihydropyrazol-5-one,5-aminopyrazol-3-ol,5-amino-2h-pyrazol-3-ol,3-pyrazolin-5-one, 3-amino,5-amino-2,3-dihydro-1h-pyrazol-3-one,1h-pyrazol-5-ol, 3-amino
IUPAC Name 5-amino-1,2-dihydropyrazol-3-one
InChI Key QZBGOTVBHYKUDS-UHFFFAOYSA-N
Molecular Formula C3H5N3O
6

4-Imidazoleacetic acid hydrochloride, 98%

CAS: 3251-69-2 Molecular Formula: C5H7ClN2O2 Molecular Weight (g/mol): 162.57 MDL Number: MFCD00012698 InChI Key: MWHLCFYPFGFBQO-UHFFFAOYSA-N Synonym: 4-imidazoleacetic acid hydrochloride,2-1h-imidazol-5-yl acetic acid hydrochloride,imidazole-4-acetic acid hydrochloride,2-1h-imidazol-4-yl acetic acid hydrochloride,4-imidazoleacetic acid hcl,imidazoleacetic acid hydrochloride,unii-et7a74roao,4-imidazoleaceticacidhydrochloride,i4aa,et7a74roao PubChem CID: 145685 IUPAC Name: 2-(1H-imidazol-5-yl)acetic acid;hydrochloride SMILES: Cl.OC(=O)CC1=CN=CN1

PubChem CID 145685
CAS 3251-69-2
Molecular Weight (g/mol) 162.57
MDL Number MFCD00012698
SMILES Cl.OC(=O)CC1=CN=CN1
Synonym 4-imidazoleacetic acid hydrochloride,2-1h-imidazol-5-yl acetic acid hydrochloride,imidazole-4-acetic acid hydrochloride,2-1h-imidazol-4-yl acetic acid hydrochloride,4-imidazoleacetic acid hcl,imidazoleacetic acid hydrochloride,unii-et7a74roao,4-imidazoleaceticacidhydrochloride,i4aa,et7a74roao
IUPAC Name 2-(1H-imidazol-5-yl)acetic acid;hydrochloride
InChI Key MWHLCFYPFGFBQO-UHFFFAOYSA-N
Molecular Formula C5H7ClN2O2
7

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

CAS: 1455-77-2 Molecular Formula: C2H5N5 Molecular Weight (g/mol): 99.097 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) 99.097
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
8

Ethyl 1-methylimidazole-2-carboxylate, 95%, Thermo Scientific™

CAS: 30148-21-1 Molecular Formula: C7H10N2O2 Molecular Weight (g/mol): 154.17 MDL Number: MFCD02683326 InChI Key: NOTZYDYZBOBDFE-UHFFFAOYSA-N Synonym: ethyl 1-methyl-1h-imidazole-2-carboxylate,ethyl1-methylimidazole-2-carboxylate,1-methyl-1h-imidazole-2-carboxylic acid ethyl ester,1h-imidazole-2-carboxylic acid, 1-methyl-, ethyl ester,pubchem22681,ethy 1-methylimidazole-2-carboxylate,ethyl 1-methyl-imidazole-2-carboxylate,1-methylimidazole-2-carboxylic acid ethyl ester,1-methyl-1h-imidazole-2-carboxylic acid, ethyl ester,1h-imidazole-2-carboxylicacid, 1-methyl-, ethyl ester PubChem CID: 4261883 IUPAC Name: ethyl 1-methylimidazole-2-carboxylate SMILES: CCOC(=O)C1=NC=CN1C

PubChem CID 4261883
CAS 30148-21-1
Molecular Weight (g/mol) 154.17
MDL Number MFCD02683326
SMILES CCOC(=O)C1=NC=CN1C
Synonym ethyl 1-methyl-1h-imidazole-2-carboxylate,ethyl1-methylimidazole-2-carboxylate,1-methyl-1h-imidazole-2-carboxylic acid ethyl ester,1h-imidazole-2-carboxylic acid, 1-methyl-, ethyl ester,pubchem22681,ethy 1-methylimidazole-2-carboxylate,ethyl 1-methyl-imidazole-2-carboxylate,1-methylimidazole-2-carboxylic acid ethyl ester,1-methyl-1h-imidazole-2-carboxylic acid, ethyl ester,1h-imidazole-2-carboxylicacid, 1-methyl-, ethyl ester
IUPAC Name ethyl 1-methylimidazole-2-carboxylate
InChI Key NOTZYDYZBOBDFE-UHFFFAOYSA-N
Molecular Formula C7H10N2O2
9

1-Methyl-1H-imidazole-4-sulfonyl chloride, 95+%, Thermo Scientific™

CAS: 137049-00-4 Molecular Formula: C4H5ClN2O2S Molecular Weight (g/mol): 180.61 MDL Number: MFCD00068060 InChI Key: KXUGUWTUFUWYRS-UHFFFAOYSA-N Synonym: 1-methyl-1h-imidazole-4-sulfonyl chloride,1-methyl-1h-imidazole-4-sulphonyl chloride,1h-imidazole-4-sulfonyl chloride, 1-methyl,1-methylimidazole-4-sulfonylchloride,1-methylimidazole-4-sulphonyl chloride,chloro 1-methylimidazol-4-yl sulfone,2-methoxymethylpropenal,acmc-209cak,buttpark 27\06-11,1-methylimidazol-4-sulfonylchloride PubChem CID: 2736887 IUPAC Name: 1-methylimidazole-4-sulfonyl chloride SMILES: CN1C=NC(=C1)S(Cl)(=O)=O

PubChem CID 2736887
CAS 137049-00-4
Molecular Weight (g/mol) 180.61
MDL Number MFCD00068060
SMILES CN1C=NC(=C1)S(Cl)(=O)=O
Synonym 1-methyl-1h-imidazole-4-sulfonyl chloride,1-methyl-1h-imidazole-4-sulphonyl chloride,1h-imidazole-4-sulfonyl chloride, 1-methyl,1-methylimidazole-4-sulfonylchloride,1-methylimidazole-4-sulphonyl chloride,chloro 1-methylimidazol-4-yl sulfone,2-methoxymethylpropenal,acmc-209cak,buttpark 27\06-11,1-methylimidazol-4-sulfonylchloride
IUPAC Name 1-methylimidazole-4-sulfonyl chloride
InChI Key KXUGUWTUFUWYRS-UHFFFAOYSA-N
Molecular Formula C4H5ClN2O2S
10

5-Methyl-1H-benzotriazole, 98+%

CAS: 136-85-6 Molecular Formula: C7H7N3 Molecular Weight (g/mol): 133.15 MDL Number: MFCD00005702 InChI Key: LRUDIIUSNGCQKF-UHFFFAOYSA-N Synonym: 5-methyl-1h-benzotriazole,5-methylbenzotriazole,tolutriazole,5-tolyltriazole,1h-benzotriazole, 5-methyl,6-methylbenzotriazole,5-methyl-1h-benzo d 1,2,3 triazole,5-methyl-1,2,3-benzotriazole,6-methyl-1,2,3-benzotriazole,t56 bmnnj g1 PubChem CID: 8705 ChEBI: CHEBI:83455 IUPAC Name: 5-methyl-2H-benzotriazole SMILES: CC1=CC2=NNN=C2C=C1

PubChem CID 8705
CAS 136-85-6
Molecular Weight (g/mol) 133.15
ChEBI CHEBI:83455
MDL Number MFCD00005702
SMILES CC1=CC2=NNN=C2C=C1
Synonym 5-methyl-1h-benzotriazole,5-methylbenzotriazole,tolutriazole,5-tolyltriazole,1h-benzotriazole, 5-methyl,6-methylbenzotriazole,5-methyl-1h-benzo d 1,2,3 triazole,5-methyl-1,2,3-benzotriazole,6-methyl-1,2,3-benzotriazole,t56 bmnnj g1
IUPAC Name 5-methyl-2H-benzotriazole
InChI Key LRUDIIUSNGCQKF-UHFFFAOYSA-N
Molecular Formula C7H7N3
11

3-Amino-5-bromo-1-methyl-1H-indazole, 97%

CAS: 1000018-06-3 Molecular Formula: C8H8BrN3 Molecular Weight (g/mol): 226.077 MDL Number: MFCD09864804 InChI Key: BKBSBRJIGMVBFM-UHFFFAOYSA-N Synonym: 5-bromo-1-methyl-1h-indazol-3-amine,3-amino-5-bromo-1-methyl-1h-indazole,acmc-2097ln,5-bromo-1-methyl-1h-indazole-3-ylamine PubChem CID: 26369215 IUPAC Name: 5-bromo-1-methylindazol-3-amine SMILES: CN1C2=C(C=C(C=C2)Br)C(=N1)N

PubChem CID 26369215
CAS 1000018-06-3
Molecular Weight (g/mol) 226.077
MDL Number MFCD09864804
SMILES CN1C2=C(C=C(C=C2)Br)C(=N1)N
Synonym 5-bromo-1-methyl-1h-indazol-3-amine,3-amino-5-bromo-1-methyl-1h-indazole,acmc-2097ln,5-bromo-1-methyl-1h-indazole-3-ylamine
IUPAC Name 5-bromo-1-methylindazol-3-amine
InChI Key BKBSBRJIGMVBFM-UHFFFAOYSA-N
Molecular Formula C8H8BrN3
12

Ethyl 4-methyloxazole-5-carboxylate, 97+%

CAS: 20485-39-6 Molecular Formula: C7H9NO3 Molecular Weight (g/mol): 155.15 MDL Number: MFCD00062573 InChI Key: XNMORZSEENWFLI-UHFFFAOYSA-N PubChem CID: 88558 IUPAC Name: ethyl 4-methyl-1,3-oxazole-5-carboxylate SMILES: CCOC(=O)C1=C(C)N=CO1

PubChem CID 88558
CAS 20485-39-6
Molecular Weight (g/mol) 155.15
MDL Number MFCD00062573
SMILES CCOC(=O)C1=C(C)N=CO1
IUPAC Name ethyl 4-methyl-1,3-oxazole-5-carboxylate
InChI Key XNMORZSEENWFLI-UHFFFAOYSA-N
Molecular Formula C7H9NO3
13

1H-Pyrazole-3-boronic acid hydrate, 95%

CAS: 376584-63-3 Molecular Formula: C3H5BN2O2 Molecular Weight (g/mol): 111.90 MDL Number: MFCD07368247 MFCD02020768 InChI Key: NEUWPDLMDVINSN-UHFFFAOYSA-N Synonym: 1h-pyrazol-3-yl boronic acid,pyrazole-3-boronic acid,1h-pyrazol-3-ylboronic acid,1h-pyrazole-3-boronic acid,1h-pyrazole-5-boronic acid,1h-pyrazol-5-yl boronic acid,1h-pyrazol-5-yl-5-boronic acid,pyrazol-3-ylboronic acid,2h-pyrazol-3-ylboronic acid PubChem CID: 11251979 IUPAC Name: 1H-pyrazol-5-ylboronic acid SMILES: OB(O)C1=NNC=C1

PubChem CID 11251979
CAS 376584-63-3
Molecular Weight (g/mol) 111.90
MDL Number MFCD07368247 MFCD02020768
SMILES OB(O)C1=NNC=C1
Synonym 1h-pyrazol-3-yl boronic acid,pyrazole-3-boronic acid,1h-pyrazol-3-ylboronic acid,1h-pyrazole-3-boronic acid,1h-pyrazole-5-boronic acid,1h-pyrazol-5-yl boronic acid,1h-pyrazol-5-yl-5-boronic acid,pyrazol-3-ylboronic acid,2h-pyrazol-3-ylboronic acid
IUPAC Name 1H-pyrazol-5-ylboronic acid
InChI Key NEUWPDLMDVINSN-UHFFFAOYSA-N
Molecular Formula C3H5BN2O2
14

5-Chloro-1-methyl-4-nitroimidazole, 95%

CAS: 4897-25-0 Molecular Formula: C4H4ClN3O2 Molecular Weight (g/mol): 161.545 MDL Number: MFCD00233664 InChI Key: OSJUNMSWBBOTQU-UHFFFAOYSA-N Synonym: 5-chloro-1-methyl-4-nitro-1h-imidazole,1h-imidazole, 5-chloro-1-methyl-4-nitro,1-methyl-5-chloro-4-nitroimidazole,pcmni,imidazole, 5-chloro-1-methyl-4-nitro,unii-p917jw98bd,1-methyl-4-nitro-5-chloroimidazole,1-methyl-4-nitro-5-chloro imidazole,cmni,acmc-1api8 PubChem CID: 21010 IUPAC Name: 5-chloro-1-methyl-4-nitroimidazole SMILES: CN1C=NC(=C1Cl)[N+](=O)[O-]

PubChem CID 21010
CAS 4897-25-0
Molecular Weight (g/mol) 161.545
MDL Number MFCD00233664
SMILES CN1C=NC(=C1Cl)[N+](=O)[O-]
Synonym 5-chloro-1-methyl-4-nitro-1h-imidazole,1h-imidazole, 5-chloro-1-methyl-4-nitro,1-methyl-5-chloro-4-nitroimidazole,pcmni,imidazole, 5-chloro-1-methyl-4-nitro,unii-p917jw98bd,1-methyl-4-nitro-5-chloroimidazole,1-methyl-4-nitro-5-chloro imidazole,cmni,acmc-1api8
IUPAC Name 5-chloro-1-methyl-4-nitroimidazole
InChI Key OSJUNMSWBBOTQU-UHFFFAOYSA-N
Molecular Formula C4H4ClN3O2
15

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