CAS 1374407-96-1: 3-Bromo-5-methyl-1-(3-phenylpropyl)-1H-1,2,4-triazole

Description:3-Bromo-5-methyl-1-(3-phenylpropyl)-1H-1,2,4-triazole is a chemical compound characterized by its triazole ring, which is a five-membered heterocyclic structure containing three nitrogen atoms. The presence of a bromine atom at the 3-position and a methyl group at the 5-position contributes to its unique reactivity and potential biological activity. The compound also features a 3-phenylpropyl substituent, which can influence its lipophilicity and interaction with biological targets. This structure suggests potential applications in pharmaceuticals, particularly in the development of antifungal or antimicrobial agents, as triazoles are known for their efficacy in these areas. The compound's molecular properties, such as solubility, stability, and reactivity, are influenced by the functional groups present and their spatial arrangement. Additionally, the presence of bromine may enhance its electrophilic character, making it a candidate for further chemical modifications. Overall, 3-Bromo-5-methyl-1-(3-phenylpropyl)-1H-1,2,4-triazole represents a versatile scaffold in medicinal chemistry.

Formula:C₁₂H₁₄BrN₃

InChI:InChI=1S/C12H14BrN3/c1-10-14-12(13)15-16(10)9-5-8-11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3

InChI key:InChIKey=AWRMYZJVXOAHOM-UHFFFAOYSA-N

SMILES:BrC=1N=C(N(N1)CCCC=2C=CC=CC2)C