CAS 860786-52-3

4-(3-Chlorophenyl)-2-(cyclopropylmethyl)-2,4-dihydro-5-methyl-3H-1,2,4-triazol-3-one

Description:

4-(3-Chlorophenyl)-2-(cyclopropylmethyl)-2,4-dihydro-5-methyl-3H-1,2,4-triazol-3-one, with CAS number 860786-52-3, 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 chlorophenyl group and a cyclopropylmethyl substituent, contributing to its unique chemical properties and potential biological activity. The presence of the methyl group enhances its lipophilicity, which may influence its solubility and permeability in biological systems. The compound is of interest in medicinal chemistry, particularly for its potential applications in pharmacology, where triazole derivatives are often explored for their antifungal and antibacterial properties. Its structural complexity suggests that it may interact with various biological targets, making it a candidate for further research in drug development. As with many organic compounds, its stability, reactivity, and interactions with other substances would depend on environmental conditions such as pH, temperature, and solvent.

Formula: C₁₃H₁₄ClN₃O

InChI: InChI=1S/C13H14ClN3O/c1-9-15-16(8-10-5-6-10)13(18)17(9)12-4-2-3-11(14)7-12/h2-4,7,10H,5-6,8H2,1H3

InChI key: InChIKey=RFVREXNQKMPCGZ-UHFFFAOYSA-N

SMILES: O=C1N(C(C)=NN1CC2CC2)C3=CC(Cl)=CC=C3

Synonyms:

• 3H-1,2,4-Triazol-3-one, 4-(3-chlorophenyl)-2-(cyclopropylmethyl)-2,4-dihydro-5-methyl-
• 4-(3-Chlorophenyl)-2-(cyclopropylmethyl)-2,4-dihydro-5-methyl-3H-1,2,4-triazol-3-one