CAS 1094688-08-0

3-Methyl-5-(3-methylphenyl)-1H-1,2,4-triazole

Description:

3-Methyl-5-(3-methylphenyl)-1H-1,2,4-triazole is an organic compound characterized by its triazole ring, which is a five-membered heterocyclic structure containing three nitrogen atoms. This compound features a methyl group and a 3-methylphenyl substituent, contributing to its unique chemical properties. It is typically a solid at room temperature and may exhibit moderate solubility in organic solvents, depending on the specific conditions. The presence of the triazole moiety often imparts biological activity, making such compounds of interest in pharmaceutical research, particularly in the development of antifungal agents and other therapeutic applications. The compound's molecular structure suggests potential for hydrogen bonding and π-π interactions, which can influence its reactivity and interactions with biological targets. Additionally, its stability and reactivity can be affected by the substituents on the triazole ring, making it a subject of study in both synthetic and medicinal chemistry. Safety data and handling precautions should be consulted, as with any chemical substance, to ensure proper laboratory practices.

Formula: C₁₀H₁₁N₃

InChI: InChI=1S/C10H11N3/c1-7-4-3-5-9(6-7)10-11-8(2)12-13-10/h3-6H,1-2H3,(H,11,12,13)

InChI key: InChIKey=CCVMJBLNXASLGB-UHFFFAOYSA-N

SMILES: CC=1C=C(C=CC1)C2=NN=C(C)N2

Synonyms:

• 1H-1,2,4-Triazole, 3-methyl-5-(3-methylphenyl)-
• 3-Methyl-5-(3-methylphenyl)-1H-1,2,4-triazole
• 3-Methyl-5-m-tolyl-4H-[1,2,4]triazole

3-Methyl-5-(3-methylphenyl)-1H-1,2,4-triazole

CAS: 1094688-08-0

Versatile small molecule scaffold

Formula: C₁₀H₁₁N₃

Purity: Min. 95%

Molecular weight: 173.21 g/mol

Ref: 3D-UTB68808