CAS 1245772-82-0

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

Description:

6,7,8,9-Tetrahydro-3-[(3-methyl-4-nitro-1H-pyrazol-1-yl)methyl]-5H-1,2,4-triazolo[4,3-a]azepine is a complex organic compound characterized by its multi-cyclic structure, which includes a triazole and azepine moiety. This compound features a tetrahydro configuration, indicating the presence of saturated carbon rings, contributing to its stability and potential biological activity. The presence of a nitro group and a pyrazole ring suggests that it may exhibit interesting pharmacological properties, possibly acting as a bioactive agent. The molecular structure allows for various interactions with biological targets, making it a candidate for research in medicinal chemistry. Its CAS number, 1245772-82-0, serves as a unique identifier for regulatory and research purposes. As with many organic compounds, its solubility, reactivity, and stability will depend on environmental conditions such as pH and temperature, which are crucial for its application in various fields, including pharmaceuticals and agrochemicals. Further studies would be necessary to fully elucidate its properties and potential uses.

Formula: C₁₂H₁₆N₆O₂

InChI: InChI=1S/C12H16N6O2/c1-9-10(18(19)20)7-16(15-9)8-12-14-13-11-5-3-2-4-6-17(11)12/h7H,2-6,8H2,1H3

InChI key: InChIKey=FUGGNVATCHQBRC-UHFFFAOYSA-N

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

Synonyms:

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