CAS 1352925-80-4

5-Bromo-1-(phenylmethyl)-1H-1,2,4-triazole

Description:

5-Bromo-1-(phenylmethyl)-1H-1,2,4-triazole is a heterocyclic organic compound characterized by the presence of a triazole ring, which is a five-membered ring containing three nitrogen atoms and two carbon atoms. The compound features a bromine substituent at the 5-position of the triazole ring and a phenylmethyl group at the 1-position, contributing to its unique chemical properties. This structure imparts potential biological activity, making it of interest in pharmaceutical research, particularly in the development of antifungal and antimicrobial agents. The presence of the bromine atom enhances the compound's reactivity and may influence its interaction with biological targets. Additionally, the phenylmethyl group can affect the compound's lipophilicity and solubility, which are critical factors in drug design. Overall, 5-Bromo-1-(phenylmethyl)-1H-1,2,4-triazole exhibits characteristics typical of triazole derivatives, including potential for diverse applications in medicinal chemistry and agrochemicals.

Formula: C₉H₈BrN₃

InChI: InChI=1S/C9H8BrN3/c10-9-11-7-12-13(9)6-8-4-2-1-3-5-8/h1-5,7H,6H2

InChI key: InChIKey=SWXVFJSEBAADRF-UHFFFAOYSA-N

SMILES: C(N1C(Br)=NC=N1)C2=CC=CC=C2

Synonyms:

• 1-Benzyl-5-bromo-1H-1,2,4-triazole
• 1H-1,2,4-Triazole, 5-bromo-1-(phenylmethyl)-
• 5-Bromo-1-(phenylmethyl)-1H-1,2,4-triazole