CAS 88059-66-9

1H-1,2,4-Triazole, 1-[2-methoxy-3,3-dimethyl-2-(phenoxymethyl)butyl]-

Description:

1H-1,2,4-Triazole, 1-[2-methoxy-3,3-dimethyl-2-(phenoxymethyl)butyl]- is a chemical compound characterized by its triazole ring, which is a five-membered heterocyclic structure containing three nitrogen atoms. This compound features a side chain that includes a methoxy group and a bulky tert-butyl group, contributing to its unique properties. It is typically used in pharmaceutical applications, particularly as an antifungal agent, due to its ability to inhibit specific enzymes in fungal cells. The presence of the phenoxymethyl group enhances its lipophilicity, potentially improving its bioavailability. The compound's molecular structure allows for various interactions with biological targets, making it a subject of interest in medicinal chemistry. Additionally, it may exhibit moderate to high stability under standard conditions, although specific stability and reactivity can depend on environmental factors. Safety data should be consulted for handling and usage, as with any chemical substance, to ensure proper precautions are taken.

Formula: C₁₆H₂₃N₃O₂

InChI: InChI=1S/C16H23N3O2/c1-15(2,3)16(20-4,10-19-13-17-12-18-19)11-21-14-8-6-5-7-9-14/h5-9,12-13H,10-11H2,1-4H3

InChI key: SHYKEODQWSNEQX-UHFFFAOYSA-N

SMILES: CC(C)(C)C(CN1C=NC=N1)(COC2=CC=CC=C2)OC