CAS 937667-45-3

6,7,8,9-Tetrahydro-5H-1,2,4-triazolo[4,3-a]azepine-3-acetic acid

Description:

6,7,8,9-Tetrahydro-5H-1,2,4-triazolo[4,3-a]azepine-3-acetic acid is a chemical compound characterized by its unique bicyclic structure, which incorporates both a triazole and an azepine ring. This compound features a tetrahydro configuration, indicating the presence of saturated carbon atoms within the rings. The acetic acid functional group contributes to its potential solubility in polar solvents and may influence its biological activity. The presence of nitrogen atoms in the triazole ring can impart specific reactivity and interaction capabilities, making it of interest in medicinal chemistry and drug development. Its molecular structure suggests potential applications in pharmacology, particularly in areas related to neuropharmacology or as a scaffold for developing novel therapeutic agents. The compound's CAS number, 937667-45-3, allows for precise identification in chemical databases, facilitating research and development efforts. Overall, this compound exemplifies the complexity and diversity of heterocyclic compounds in organic chemistry.

Formula: C₉H₁₃N₃O₂

InChI: InChI=1S/C9H13N3O2/c13-9(14)6-8-11-10-7-4-2-1-3-5-12(7)8/h1-6H2,(H,13,14)

InChI key: InChIKey=HSOBOVWQIZZTEJ-UHFFFAOYSA-N

SMILES: C(C(O)=O)C=1N2C(=NN1)CCCCC2

Synonyms:

• 6,7,8,9-Tetrahydro-5H-1,2,4-triazolo[4,3-a]azepine-3-acetic acid
• 5H-1,2,4-Triazolo[4,3-a]azepine-3-acetic acid, 6,7,8,9-tetrahydro-