CAS 860785-44-0

2,4-Dihydro-5-methyl-4-phenyl-2-(phenylmethyl)-3H-1,2,4-triazol-3-one

Description:

2,4-Dihydro-5-methyl-4-phenyl-2-(phenylmethyl)-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 associated with triazoles, such as potential biological activity, including antifungal and antimicrobial effects. The presence of multiple phenyl groups suggests that it may have significant lipophilicity, which can influence its solubility and permeability in biological systems. The methyl group contributes to the compound's steric properties, potentially affecting its interaction with biological targets. Additionally, the compound's structure may allow for various functional modifications, making it a candidate for further chemical synthesis and exploration in medicinal chemistry. As with many triazole derivatives, it may also exhibit interesting pharmacological properties, warranting investigation for therapeutic applications. Safety and handling precautions should be observed, as with all chemical substances, due to potential toxicity or reactivity.

Formula: C₁₆H₁₅N₃O

InChI: InChI=1S/C16H15N3O/c1-13-17-18(12-14-8-4-2-5-9-14)16(20)19(13)15-10-6-3-7-11-15/h2-11H,12H2,1H3

InChI key: InChIKey=XXVHVVWTXJBHNR-UHFFFAOYSA-N

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

Synonyms:

• 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-methyl-4-phenyl-2-(phenylmethyl)-
• 2,4-Dihydro-5-methyl-4-phenyl-2-(phenylmethyl)-3H-1,2,4-triazol-3-one