CAS 1380300-40-2

Ethyl 5,6,7,8-tetrahydro-1H-1,2,4-triazolo[4,3-a][1,3]diazepine-3-carboxylate

Description:

Ethyl 5,6,7,8-tetrahydro-1H-1,2,4-triazolo[4,3-a][1,3]diazepine-3-carboxylate is a chemical compound characterized by its complex bicyclic structure, which incorporates both a triazole and a diazepine moiety. This compound typically exhibits properties associated with heterocyclic compounds, including potential biological activity due to its structural features. It is likely to be a solid at room temperature, with solubility in organic solvents, and may have moderate to low water solubility. The presence of the ethyl ester functional group suggests it may undergo hydrolysis under certain conditions, leading to the formation of the corresponding carboxylic acid. The compound's unique structure may confer specific pharmacological properties, making it of interest in medicinal chemistry, particularly in the development of anxiolytic or anticonvulsant agents. As with many heterocycles, it may also exhibit interesting reactivity patterns, making it a candidate for further synthetic modifications or applications in drug discovery. Safety and handling precautions should be observed, as with all chemical substances, due to potential toxicity or reactivity.

Formula: C₉H₁₄N₄O₂

InChI: InChI=1S/C9H14N4O2/c1-2-15-8(14)7-11-12-9-10-5-3-4-6-13(7)9/h2-6H2,1H3,(H,10,12)

InChI key: InChIKey=BVXNNVYCPTVQGJ-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C=1N2C(NN1)=NCCCC2

Synonyms:

• Ethyl 5,6,7,8-tetrahydro-1H-1,2,4-triazolo[4,3-a][1,3]diazepine-3-carboxylate
• 1H-1,2,4-Triazolo[4,3-a][1,3]diazepine-3-carboxylic acid, 5,6,7,8-tetrahydro-, ethyl ester

Ethyl 5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a][1,3]diazepine-3-carboxylate

CAS: 1380300-40-2

Formula: C₉H₁₄N₄O₂

Molecular weight: 210.237

Ref: 10-F091284