CAS 728024-46-2

1-(3-Methylphenyl)-1H-1,2,3-triazole-4,5-dimethanol

Description:

1-(3-Methylphenyl)-1H-1,2,3-triazole-4,5-dimethanol is a chemical compound characterized by its triazole ring, which is a five-membered heterocyclic structure containing three nitrogen atoms. This compound features a 3-methylphenyl group, contributing to its aromatic properties and potentially influencing its reactivity and solubility. The presence of two hydroxymethyl (-CH2OH) groups at the 4 and 5 positions of the triazole ring enhances its polarity and may facilitate hydrogen bonding, which can affect its interactions in biological systems or with other chemical entities. The compound is likely to exhibit moderate to high solubility in polar solvents due to these hydroxymethyl groups. Its unique structure may confer specific biological activities, making it of interest in medicinal chemistry and material science. Additionally, the compound's stability and reactivity can be influenced by the electronic effects of the methylphenyl substituent and the triazole framework, which may be relevant in various synthetic applications or as a potential pharmaceutical agent.

Formula: C₁₁H₁₃N₃O₂

InChI: InChI=1S/C11H13N3O2/c1-8-3-2-4-9(5-8)14-11(7-16)10(6-15)12-13-14/h2-5,15-16H,6-7H2,1H3

InChI key: InChIKey=ISZRWLBQJGUJMV-UHFFFAOYSA-N

SMILES: C(O)C=1N(N=NC1CO)C2=CC(C)=CC=C2

Synonyms:

• 1-(3-Methylphenyl)-1H-1,2,3-triazole-4,5-dimethanol
• 1H-1,2,3-Triazole-4,5-dimethanol, 1-(3-methylphenyl)-