CAS 860785-12-2

2,4-Dihydro-5-methyl-4-(4-methylphenyl)-2-[(4-nitrophenyl)methyl]-3H-1,2,4-triazol-3-one

Description:

2,4-Dihydro-5-methyl-4-(4-methylphenyl)-2-[(4-nitrophenyl)methyl]-3H-1,2,4-triazol-3-one is a chemical compound characterized by its triazole ring structure, which is a five-membered heterocyclic compound containing three nitrogen atoms. This substance typically exhibits properties such as moderate solubility in organic solvents and potential bioactivity, making it of interest in pharmaceutical and agricultural applications. The presence of various functional groups, including methyl and nitro groups, contributes to its chemical reactivity and potential interactions with biological systems. The compound may also display specific spectral characteristics in techniques such as NMR and IR spectroscopy, aiding in its identification and characterization. Additionally, its molecular structure suggests potential for diverse applications, including as a building block in drug synthesis or as a fungicide, depending on its biological activity. Safety and handling precautions should be observed, as with any chemical substance, due to the potential for toxicity or environmental impact.

Formula: C₁₇H₁₆N₄O₃

InChI: InChI=1S/C17H16N4O3/c1-12-3-7-15(8-4-12)20-13(2)18-19(17(20)22)11-14-5-9-16(10-6-14)21(23)24/h3-10H,11H2,1-2H3

InChI key: InChIKey=FHNGOFQMXWQMON-UHFFFAOYSA-N

SMILES: O=C1N(C(C)=NN1CC2=CC=C(N(=O)=O)C=C2)C3=CC=C(C)C=C3

Synonyms:

• 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-methyl-4-(4-methylphenyl)-2-[(4-nitrophenyl)methyl]-
• 2,4-Dihydro-5-methyl-4-(4-methylphenyl)-2-[(4-nitrophenyl)methyl]-3H-1,2,4-triazol-3-one