CAS 111340-39-7

1-(1-Methylethyl)-1H-1,2,4-triazole-5-methanol

Description:

1-(1-Methylethyl)-1H-1,2,4-triazole-5-methanol, with the CAS number 111340-39-7, is a chemical compound that belongs to the class of triazoles, which are five-membered heterocyclic compounds containing three nitrogen atoms. This substance features a triazole ring substituted with a 1-methylethyl group and a hydroxymethyl group, contributing to its unique chemical properties. It is typically characterized by its moderate polarity due to the presence of the hydroxymethyl group, which can participate in hydrogen bonding. The compound may exhibit biological activity, making it of interest in agricultural and pharmaceutical applications, particularly as a fungicide or in the development of agrochemicals. Its stability and reactivity can be influenced by the substituents on the triazole ring, affecting its solubility and interaction with other molecules. As with many triazole derivatives, it may also be subject to specific regulatory considerations due to its potential environmental impact and toxicity profiles.

Formula: C₆H₁₁N₃O

InChI: InChI=1S/C6H11N3O/c1-5(2)9-6(3-10)7-4-8-9/h4-5,10H,3H2,1-2H3

InChI key: InChIKey=XIAOMTCYUPNRKB-UHFFFAOYSA-N

SMILES: C(O)C=1N(C(C)C)N=CN1

Synonyms:

• 1H-1,2,4-Triazole-5-methanol, 1-(1-methylethyl)-
• (2-Isopropyl-2H-1,2,4-triazol-3-yl)methanol
• 1-(1-Methylethyl)-1H-1,2,4-triazole-5-methanol
• (1-Isopropyl-1H-1,2,4-triazol-5-yl)methanol
• [1-(Propan-2-yl)-1H-1,2,4-triazol-5-yl]methanol

[1-(Propan-2-yl)-1H-1,2,4-triazol-5-yl]methanol

CAS: 111340-39-7

Versatile small molecule scaffold

Formula: C₆H₁₁N₃O

Purity: Min. 95%

Molecular weight: 141.17 g/mol

Ref: 3D-LEA34039