CAS 106535-20-0

1,1-Dimethylethyl 1H-1,2,4-triazole-1-propanoate

Description:

1,1-Dimethylethyl 1H-1,2,4-triazole-1-propanoate, with CAS number 106535-20-0, is a chemical compound that belongs to the class of triazoles, which are five-membered heterocyclic compounds containing three nitrogen atoms. This substance is characterized by its ester functional group, which contributes to its reactivity and solubility properties. It typically appears as a colorless to pale yellow liquid or solid, depending on its purity and form. The presence of the dimethyl group enhances its lipophilicity, making it more soluble in organic solvents. This compound is often studied for its potential applications in agriculture, particularly as a fungicide or plant growth regulator, due to its ability to inhibit certain biological pathways in fungi. Additionally, its triazole structure is known for its role in various pharmaceutical applications, including antifungal agents. Safety data sheets should be consulted for handling and toxicity information, as with any chemical substance.

Formula: C₉H₁₅N₃O₂

InChI: InChI=1S/C9H15N3O2/c1-9(2,3)14-8(13)4-5-12-7-10-6-11-12/h6-7H,4-5H2,1-3H3

InChI key: InChIKey=HJRJFSLCUNJZCJ-UHFFFAOYSA-N

SMILES: C(CC(OC(C)(C)C)=O)N1C=NC=N1

Synonyms:

• 1H-1,2,4-Triazole-1-propanoic acid, 1,1-dimethylethyl ester
• 1,1-Dimethylethyl 1H-1,2,4-triazole-1-propanoate