CAS 91004-62-5

4-(3-Methylphenyl)-4H-1,2,4-triazole

Description:

4-(3-Methylphenyl)-4H-1,2,4-triazole, with the CAS number 91004-62-5, is a heterocyclic organic compound characterized by its triazole ring, which consists of three nitrogen atoms and two carbon atoms in a five-membered ring structure. This compound features a 3-methylphenyl group attached to the triazole, contributing to its unique chemical properties. It is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. The presence of the methyl group on the phenyl ring can influence its electronic properties and reactivity, making it of interest in various chemical applications, including pharmaceuticals and agrochemicals. The triazole moiety is known for its ability to form hydrogen bonds, which can enhance its interactions with biological targets. Additionally, compounds like this one may exhibit antifungal, antibacterial, or other biological activities, making them valuable in medicinal chemistry. Safety and handling precautions should be observed, as with all chemical substances, due to potential toxicity or reactivity.

Formula: C₉H₉N₃

InChI: InChI=1S/C9H9N3/c1-8-3-2-4-9(5-8)12-6-10-11-7-12/h2-7H,1H3

InChI key: InChIKey=GJAPXPKFOKANHR-UHFFFAOYSA-N

SMILES: CC=1C=C(C=CC1)N2C=NN=C2

Synonyms:

• 4H-1,2,4-Triazole, 4-(3-methylphenyl)-
• 4-(3-Methylphenyl)-4H-1,2,4-triazole
• 4H-1,2,4-Triazole, 4-m-tolyl-