CAS 860789-05-5

2-(Cyclopropylmethyl)-4-(2-fluorophenyl)-2,4-dihydro-5-methyl-3H-1,2,4-triazol-3-one

Description:

2-(Cyclopropylmethyl)-4-(2-fluorophenyl)-2,4-dihydro-5-methyl-3H-1,2,4-triazol-3-one is a chemical compound characterized by its unique triazole ring structure, which contributes to its biological activity. This compound features a cyclopropylmethyl group and a 2-fluorophenyl substituent, which can influence its pharmacological properties and interactions with biological targets. The presence of the triazole moiety often suggests potential applications in medicinal chemistry, particularly as antifungal or antimicrobial agents. The compound's molecular structure includes a dihydro form, indicating it may exist in a stable, non-aromatic state under certain conditions. Its CAS number, 860789-05-5, allows for easy identification in chemical databases. The compound's solubility, stability, and reactivity can vary based on environmental conditions and the presence of other substances, making it important for researchers to consider these factors when studying its applications. Overall, this compound exemplifies the complexity and diversity of synthetic organic chemistry, particularly in the development of novel therapeutic agents.

Formula: C₁₃H₁₄FN₃O

InChI: InChI=1S/C13H14FN3O/c1-9-15-16(8-10-6-7-10)13(18)17(9)12-5-3-2-4-11(12)14/h2-5,10H,6-8H2,1H3

InChI key: InChIKey=NEZBLRCFLZUKNV-UHFFFAOYSA-N

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

Synonyms:

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