2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-(1,2,4)triazolo(4,3-a)azepin-2-yl}acetic acid, 95%

cas: 950114-53-1 — see every product listed under this CAS number, including other names

2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-(1,2,4)triazolo(4,3-a)azepin-2-yl}acetic acid, 95% (CAS 950114-53-1) is a chemical reagent available from Chemat. Available pack sizes: 5g, 10g. Offered by: AmBeed.

• 2D
• 3D

2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetic acid (CAS 950114-53-1) is a chemical compound with the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. IUPAC name: 2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetic acid. InChIKey: MJUSVNLNPPZGSP-UHFFFAOYSA-N.

Identity

Molecular formula	C9H13N3O3
Molecular weight	211.22 g/mol
IUPAC name	2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetic acid
InChIKey	MJUSVNLNPPZGSP-UHFFFAOYSA-N
SMILES	C1CCC2=NN(C(=O)N2CC1)CC(=O)O

Computed by PubChem (NCBI)

Synonyms: 2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-2-yl}acetic acid, 2-(3-oxo-2H,3H,5H,6H,7H,8H,9H-(1,2,4)triazolo(4,3-a)azepin-2-yl)acetic acid, 2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetic acid, (3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)acetic acid, 2-(3-Oxo-3,5,6,7,8,9-hexahydro-2H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetic Acid, 2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-2-yl}aceticacid

Isomers (same molecular formula)

1-N-(2-methoxyethyl)-4-nitrobenzene-1,3-diamine C₉H₁₃N₃O₃

N-(3-methoxypropyl)-5-nitropyridin-2-amine C₉H₁₃N₃O₃

N-(2-ethoxyethyl)-3-nitropyridin-2-amine C₉H₁₃N₃O₃

5-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione C₉H₁₃N₃O₃

4-(dimethylamino)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbaldehyde C₉H₁₃N₃O₃

2-methyl-2-[(3-nitro-2-pyridinyl)amino]propan-1-ol C₉H₁₃N₃O₃

methyl 3-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propanoate C₉H₁₃N₃O₃

methyl (2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoate C₉H₁₃N₃O₃

2-(2-methoxyethylamino)-4-methylpyrimidine-5-carboxylic acid C₉H₁₃N₃O₃

tert-butyl N-(5-hydroxypyrimidin-2-yl)carbamate C₉H₁₃N₃O₃

(4-formyltriazol-1-yl)methyl 2,2-dimethylpropanoate C₉H₁₃N₃O₃

ethyl 2-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)acetate C₉H₁₃N₃O₃