CAS 1245772-21-7

6,7,8,9-Tetrahydro-3-[1-(4-nitro-1H-pyrazol-1-yl)ethyl]-5H-1,2,4-triazolo[4,3-a]azepine

Description:

6,7,8,9-Tetrahydro-3-[1-(4-nitro-1H-pyrazol-1-yl)ethyl]-5H-1,2,4-triazolo[4,3-a]azepine is a complex organic compound characterized by its unique bicyclic structure, which incorporates a triazole and azepine moiety. This compound features a tetrahydro configuration, indicating the presence of a saturated ring system, and a nitro-substituted pyrazole, which contributes to its potential biological activity. The presence of the nitro group may enhance the compound's reactivity and influence its pharmacological properties. The molecular structure suggests potential applications in medicinal chemistry, particularly in the development of novel therapeutic agents. Its specific interactions and mechanisms of action would depend on the functional groups and stereochemistry present in the molecule. As with many compounds in this class, understanding its solubility, stability, and reactivity under various conditions is crucial for its application in research and development. Further studies, including biological assays, would be necessary to elucidate its potential uses and efficacy in various applications.

Formula: C₁₂H₁₆N₆O₂

InChI: InChI=1S/C12H16N6O2/c1-9(17-8-10(7-13-17)18(19)20)12-15-14-11-5-3-2-4-6-16(11)12/h7-9H,2-6H2,1H3

InChI key: InChIKey=IQSQOGBESYJNQB-UHFFFAOYSA-N

SMILES: C(C)(C=1N2C(=NN1)CCCCC2)N3C=C(N(=O)=O)C=N3

Synonyms:

• 5H-1,2,4-Triazolo[4,3-a]azepine, 6,7,8,9-tetrahydro-3-[1-(4-nitro-1H-pyrazol-1-yl)ethyl]-
• 6,7,8,9-Tetrahydro-3-[1-(4-nitro-1H-pyrazol-1-yl)ethyl]-5H-1,2,4-triazolo[4,3-a]azepine