CAS 90349-93-2

5-(4-Nitrobenzyl)-4H-1,2,4-triazol-3-amine

Description:

5-(4-Nitrobenzyl)-4H-1,2,4-triazol-3-amine is a chemical compound characterized by its triazole ring structure, which is a five-membered heterocyclic compound containing three nitrogen atoms. This substance features a nitrobenzyl group, which contributes to its potential reactivity and biological activity. The presence of the amino group at the 3-position of the triazole ring enhances its ability to participate in hydrogen bonding and may influence its solubility and interaction with biological targets. The compound is typically synthesized through organic reactions involving nitrobenzyl derivatives and triazole precursors. It may exhibit various properties such as antimicrobial or antifungal activity, making it of interest in pharmaceutical research. Additionally, its molecular structure suggests potential applications in agrochemicals or as a building block in the synthesis of more complex molecules. As with many organic compounds, its stability, solubility, and reactivity can vary based on environmental conditions and the presence of other functional groups.

Formula: C₉H₉N₅O₂

InChI: InChI=1/C9H9N5O2/c10-9-11-8(12-13-9)5-6-1-3-7(4-2-6)14(15)16/h1-4H,5H2,(H3,10,11,12,13)

SMILES: c1cc(ccc1Cc1nc(=N)[nH][nH]1)N(=O)=O

Synonyms:

• 4H-1,2,4-triazol-3-amine, 5-[(4-nitrophenyl)methyl]-
• 5-(4-nitrobenzyl)-1H-1,2,4-triazol-3-amine
• 5-(4-Nitrobenzyl)-4H-1,2,4-triazol-3-amine