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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)
Pyrazoles (231)
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

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
3

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
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

1H-Indazole-6-carboxylic acid, 97%

CAS: 704-91-6 Molecular Formula: C8H6N2O2 Molecular Weight (g/mol): 162.15 MDL Number: MFCD06804571 InChI Key: DNCVTVVLMRHJCJ-UHFFFAOYSA-N Synonym: indazole-6-carboxylic acid,1h-indazole-6-carboxylicacid,6-carboxyindazole,6-carboxy-1h-indazole,6-indazolecarboxylic acid,ksc376q7p,1h-indazole-6-carboxylic acid,6-1h indazole carboxylic acid PubChem CID: 16227938 IUPAC Name: 1H-indazole-6-carboxylic acid SMILES: OC(=O)C1=CC=C2C=NNC2=C1

PubChem CID 16227938
CAS 704-91-6
Molecular Weight (g/mol) 162.15
MDL Number MFCD06804571
SMILES OC(=O)C1=CC=C2C=NNC2=C1
Synonym indazole-6-carboxylic acid,1h-indazole-6-carboxylicacid,6-carboxyindazole,6-carboxy-1h-indazole,6-indazolecarboxylic acid,ksc376q7p,1h-indazole-6-carboxylic acid,6-1h indazole carboxylic acid
IUPAC Name 1H-indazole-6-carboxylic acid
InChI Key DNCVTVVLMRHJCJ-UHFFFAOYSA-N
Molecular Formula C8H6N2O2
6

3-Amino-1-methyl-1H-indazole, 95%

CAS: 60301-20-4 Molecular Formula: C8H9N3 Molecular Weight (g/mol): 147.18 MDL Number: MFCD09054755 InChI Key: NYLGITXFVVEBLZ-UHFFFAOYSA-N Synonym: 1-methyl-1h-indazol-3-amine,3-amino-1-methylindazole,3-amino-1-methyl-1h-indazole,1h-indazol-3-amine, 1-methyl,n-methyl-3-aminoindazole,1-methyl-1h-3-indazoleamine,1-methyl-1h-indazole-3-amine,1-methyl-1h-indazol-3-ylamine,1-methyl-1h-indazole-3-ylamine PubChem CID: 12291317 SMILES: CN1N=C(N)C2=CC=CC=C12

PubChem CID 12291317
CAS 60301-20-4
Molecular Weight (g/mol) 147.18
MDL Number MFCD09054755
SMILES CN1N=C(N)C2=CC=CC=C12
Synonym 1-methyl-1h-indazol-3-amine,3-amino-1-methylindazole,3-amino-1-methyl-1h-indazole,1h-indazol-3-amine, 1-methyl,n-methyl-3-aminoindazole,1-methyl-1h-3-indazoleamine,1-methyl-1h-indazole-3-amine,1-methyl-1h-indazol-3-ylamine,1-methyl-1h-indazole-3-ylamine
InChI Key NYLGITXFVVEBLZ-UHFFFAOYSA-N
Molecular Formula C8H9N3
7

2-Methyl-2-phenylpropylmagnesium chloride, 0.5M solution in diethyl ether, AcroSeal™

CAS: 35293-35-7 Molecular Formula: C10H13ClMg Molecular Weight (g/mol): 192.97 MDL Number: MFCD00075586 InChI Key: BXKYFONHSSFLKR-UHFFFAOYSA-M Synonym: neophylmagnesium chloride,chloro 2-methyl-2-phenylpropyl magnesium,magnesium, chloro 2-methyl-2-phenylpropyl,2-methyl-2-phenylpropylmagnesium chloride,2-methyl-2-phenylpropylmagnesium chloride solution,neophyl magnesium chloride,bxkyfonhssflkr-uhfffaoysa-m,2-methyl-2-phenylpropyl magnesium chloride,2-methyl-2-phenyl-propanyl magnesium chloride,2-methyl-2-phenylpropylmagnesium chloride solution, 0.5 m in diethyl ether PubChem CID: 118802 IUPAC Name: magnesium;2-methanidylpropan-2-ylbenzene;chloride SMILES: CC(C)(C[Mg]Cl)C1=CC=CC=C1

PubChem CID 118802
CAS 35293-35-7
Molecular Weight (g/mol) 192.97
MDL Number MFCD00075586
SMILES CC(C)(C[Mg]Cl)C1=CC=CC=C1
Synonym neophylmagnesium chloride,chloro 2-methyl-2-phenylpropyl magnesium,magnesium, chloro 2-methyl-2-phenylpropyl,2-methyl-2-phenylpropylmagnesium chloride,2-methyl-2-phenylpropylmagnesium chloride solution,neophyl magnesium chloride,bxkyfonhssflkr-uhfffaoysa-m,2-methyl-2-phenylpropyl magnesium chloride,2-methyl-2-phenyl-propanyl magnesium chloride,2-methyl-2-phenylpropylmagnesium chloride solution, 0.5 m in diethyl ether
IUPAC Name magnesium;2-methanidylpropan-2-ylbenzene;chloride
InChI Key BXKYFONHSSFLKR-UHFFFAOYSA-M
Molecular Formula C10H13ClMg
8

Sulfisoxazole, 99%, Thermo Scientific Chemicals

CAS: 127-69-5 Molecular Formula: C11H13N3O3S Molecular Weight (g/mol): 267.3 InChI Key: NHUHCSRWZMLRLA-UHFFFAOYSA-N Synonym: sulfisoxazole,sulfafurazole,sulphafurazole,sulfisoxazol,sulfafurazol,sulfaisoxazole,sulfofurazole,sulfisoxasole,sulphaisoxazole,sulfadimethylisoxazole PubChem CID: 5344 ChEBI: CHEBI:102484 IUPAC Name: 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide SMILES: CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N

PubChem CID 5344
CAS 127-69-5
Molecular Weight (g/mol) 267.3
ChEBI CHEBI:102484
SMILES CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N
Synonym sulfisoxazole,sulfafurazole,sulphafurazole,sulfisoxazol,sulfafurazol,sulfaisoxazole,sulfofurazole,sulfisoxasole,sulphaisoxazole,sulfadimethylisoxazole
IUPAC Name 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
InChI Key NHUHCSRWZMLRLA-UHFFFAOYSA-N
Molecular Formula C11H13N3O3S
9

N-Butylimidazole, 98%

CAS: 4316-42-1 Molecular Formula: C7H12N2 Molecular Weight (g/mol): 124.19 MDL Number: MFCD00042753 InChI Key: MCMFEZDRQOJKMN-UHFFFAOYSA-N Synonym: 1-butyl-1h-imidazole,1h-imidazole, 1-butyl,n-butylimidazole,1-n-butylimidazole,n-n-butyl imidazole,1-n-butyl imidazole,1-buthylimidazole,n-n-butylimidazole,imidazole, 1-butyl PubChem CID: 61347 IUPAC Name: 1-butyl-1H-imidazole SMILES: CCCCN1C=CN=C1

PubChem CID 61347
CAS 4316-42-1
Molecular Weight (g/mol) 124.19
MDL Number MFCD00042753
SMILES CCCCN1C=CN=C1
Synonym 1-butyl-1h-imidazole,1h-imidazole, 1-butyl,n-butylimidazole,1-n-butylimidazole,n-n-butyl imidazole,1-n-butyl imidazole,1-buthylimidazole,n-n-butylimidazole,imidazole, 1-butyl
IUPAC Name 1-butyl-1H-imidazole
InChI Key MCMFEZDRQOJKMN-UHFFFAOYSA-N
Molecular Formula C7H12N2
10

2,9-Diacetylguanine, 96%, Thermo Scientific™

CAS: 3056-33-5 Molecular Formula: C9H9N5O3 Molecular Weight (g/mol): 235.20 MDL Number: MFCD00142116 InChI Key: GILZZWCROUGLIS-UHFFFAOYSA-N PubChem CID: 76461 IUPAC Name: N-(9-acetyl-6-oxo-3H-purin-2-yl)acetamide SMILES: CC(=O)NC1=NC(=O)C2=C(N1)N(C=N2)C(C)=O

PubChem CID 76461
CAS 3056-33-5
Molecular Weight (g/mol) 235.20
MDL Number MFCD00142116
SMILES CC(=O)NC1=NC(=O)C2=C(N1)N(C=N2)C(C)=O
IUPAC Name N-(9-acetyl-6-oxo-3H-purin-2-yl)acetamide
InChI Key GILZZWCROUGLIS-UHFFFAOYSA-N
Molecular Formula C9H9N5O3
11

Nalidixic acid sodium salt

CAS: 5-8-3374 Molecular Formula: C12H11N2NaO3 Molecular Weight (g/mol): 254.22 InChI Key: ROKRAUFZFDQWLE-UHFFFAOYSA-M IUPAC Name: sodium 1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate SMILES: [Na+].CCN1C=C(C([O-])=O)C(=O)C2=CC=C(C)N=C12

CAS 5-8-3374
Molecular Weight (g/mol) 254.22
SMILES [Na+].CCN1C=C(C([O-])=O)C(=O)C2=CC=C(C)N=C12
IUPAC Name sodium 1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate
InChI Key ROKRAUFZFDQWLE-UHFFFAOYSA-M
Molecular Formula C12H11N2NaO3
12

5-Methyl-3-phenylisoxazole-4-carbonyl chloride, 90%, Thermo Scientific™

CAS: 16883-16-2 Molecular Formula: C11H8ClNO2 Molecular Weight (g/mol): 221.64 MDL Number: MFCD00052205 InChI Key: HXEVQMXCHCDPSO-UHFFFAOYSA-N Synonym: 5-methyl-3-phenylisoxazole-4-carbonyl chloride,pmic chloride,unii-97ot2t1w6v,3-phenyl-5-methylisoxazole-4-carbonyl chloride,4-isoxazolecarbonyl chloride, 5-methyl-3-phenyl,5-methyl-3-phenyl-4-isoxazolecarbonyl chloride,3-phenyl-5-methyl-isoxazole-4-carbonyl,pubchem8723,acmc-20am25,dsstox_cid_31452 PubChem CID: 85624 IUPAC Name: 5-methyl-3-phenyl-1,2-oxazole-4-carbonyl chloride SMILES: CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)Cl

PubChem CID 85624
CAS 16883-16-2
Molecular Weight (g/mol) 221.64
MDL Number MFCD00052205
SMILES CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)Cl
Synonym 5-methyl-3-phenylisoxazole-4-carbonyl chloride,pmic chloride,unii-97ot2t1w6v,3-phenyl-5-methylisoxazole-4-carbonyl chloride,4-isoxazolecarbonyl chloride, 5-methyl-3-phenyl,5-methyl-3-phenyl-4-isoxazolecarbonyl chloride,3-phenyl-5-methyl-isoxazole-4-carbonyl,pubchem8723,acmc-20am25,dsstox_cid_31452
IUPAC Name 5-methyl-3-phenyl-1,2-oxazole-4-carbonyl chloride
InChI Key HXEVQMXCHCDPSO-UHFFFAOYSA-N
Molecular Formula C11H8ClNO2
13

1-Methyl-1H-imidazole-4-carbaldehyde, 95%, Thermo Scientific™

CAS: 17289-26-8 Molecular Formula: C5H6N2O Molecular Weight (g/mol): 110.116 MDL Number: MFCD03411957 InChI Key: CQZXDIHVSPZIGF-UHFFFAOYSA-N PubChem CID: 573419 IUPAC Name: 1-methylimidazole-4-carbaldehyde SMILES: CN1C=C(N=C1)C=O

PubChem CID 573419
CAS 17289-26-8
Molecular Weight (g/mol) 110.116
MDL Number MFCD03411957
SMILES CN1C=C(N=C1)C=O
IUPAC Name 1-methylimidazole-4-carbaldehyde
InChI Key CQZXDIHVSPZIGF-UHFFFAOYSA-N
Molecular Formula C5H6N2O
14

(2-Methyl-1,3-thiazol-4-yl)methylamine, 97%, Thermo Scientific™

CAS: 103694-26-4 Molecular Formula: C5H8N2S Molecular Weight (g/mol): 128.193 MDL Number: MFCD06212804 InChI Key: ZCKAEFOHSOQKHN-UHFFFAOYSA-N Synonym: 2-methylthiazol-4-yl methanamine,2-methyl-1,3-thiazole-4-methylamine,2-methyl-1,3-thiazol-4-yl methanamine,2-methyl-1,3-thiazol-4-yl methylamine,c-2-methyl-thiazol-4-yl-methylamine,4-thiazolemethanamine, 2-methyl,4-thiazolemethanamine,2-methyl,4-aminomethyl-2-methyl-1,3-thiazole,1-2-methyl-1,3-thiazol-4-yl methanamine,2-methylthiazol-4-yl methylamine PubChem CID: 18467479 IUPAC Name: (2-methyl-1,3-thiazol-4-yl)methanamine SMILES: CC1=NC(=CS1)CN

PubChem CID 18467479
CAS 103694-26-4
Molecular Weight (g/mol) 128.193
MDL Number MFCD06212804
SMILES CC1=NC(=CS1)CN
Synonym 2-methylthiazol-4-yl methanamine,2-methyl-1,3-thiazole-4-methylamine,2-methyl-1,3-thiazol-4-yl methanamine,2-methyl-1,3-thiazol-4-yl methylamine,c-2-methyl-thiazol-4-yl-methylamine,4-thiazolemethanamine, 2-methyl,4-thiazolemethanamine,2-methyl,4-aminomethyl-2-methyl-1,3-thiazole,1-2-methyl-1,3-thiazol-4-yl methanamine,2-methylthiazol-4-yl methylamine
IUPAC Name (2-methyl-1,3-thiazol-4-yl)methanamine
InChI Key ZCKAEFOHSOQKHN-UHFFFAOYSA-N
Molecular Formula C5H8N2S
15

1-methyl-1h-indazole-3-carbonyl chloride, 97%, Thermo Scientific™

CAS: 106649-02-9 Molecular Formula: C9H7ClN2O Molecular Weight (g/mol): 194.62 MDL Number: MFCD02093096 InChI Key: NPNWVMBPSINFBV-UHFFFAOYSA-N Synonym: 1-methyl-1h-indazole-3-carbonyl chloride,1h-indazole-3-carbonylchloride, 1-methyl,1-methyl-1h-indazol-3-carbonyl chloride,1h-indazole-3-carbonyl chloride, 1-methyl,acmc-20mac8,1-methyl-3-indazolylcarbonyl chloride,1-methyl-indazole-3-carbonyl chloride,1-methyl-1h-indazole-3-carboxychloride,1-methyl-1h-indazole-3-carboxylic acid chloride PubChem CID: 7022055 IUPAC Name: 1-methylindazole-3-carbonyl chloride SMILES: CN1N=C(C(Cl)=O)C2=CC=CC=C12

PubChem CID 7022055
CAS 106649-02-9
Molecular Weight (g/mol) 194.62
MDL Number MFCD02093096
SMILES CN1N=C(C(Cl)=O)C2=CC=CC=C12
Synonym 1-methyl-1h-indazole-3-carbonyl chloride,1h-indazole-3-carbonylchloride, 1-methyl,1-methyl-1h-indazol-3-carbonyl chloride,1h-indazole-3-carbonyl chloride, 1-methyl,acmc-20mac8,1-methyl-3-indazolylcarbonyl chloride,1-methyl-indazole-3-carbonyl chloride,1-methyl-1h-indazole-3-carboxychloride,1-methyl-1h-indazole-3-carboxylic acid chloride
IUPAC Name 1-methylindazole-3-carbonyl chloride
InChI Key NPNWVMBPSINFBV-UHFFFAOYSA-N
Molecular Formula C9H7ClN2O