CAS 881845-16-5

3-(Chloromethyl)-4,5-dimethyl-4H-1,2,4-triazole

Description:

3-(Chloromethyl)-4,5-dimethyl-4H-1,2,4-triazole is a heterocyclic organic compound characterized by its triazole ring, which is a five-membered ring containing three nitrogen atoms. This compound features a chloromethyl group, which enhances its reactivity and potential for further chemical modifications. The presence of two methyl groups at the 4 and 5 positions of the triazole ring contributes to its hydrophobic characteristics and may influence its biological activity. The chloromethyl group can participate in nucleophilic substitution reactions, making it a useful intermediate in organic synthesis. This compound is of interest in various fields, including pharmaceuticals and agrochemicals, due to its potential applications in developing fungicides or other bioactive agents. Its molecular structure and functional groups suggest that it may exhibit specific interactions with biological targets, which can be explored in medicinal chemistry. As with many chemical substances, safety and handling precautions should be observed, given the presence of chlorine, which can pose health risks.

Formula: C₅H₈ClN₃

InChI: InChI=1S/C5H8ClN3/c1-4-7-8-5(3-6)9(4)2/h3H2,1-2H3

InChI key: InChIKey=LSWIXGUFXFSQHS-UHFFFAOYSA-N

SMILES: C(Cl)C=1N(C)C(C)=NN1

Synonyms:

• 3-(Chloromethyl)-4,5-dimethyl-4H-1,2,4-triazole
• 4H-1,2,4-Triazole, 3-(chloromethyl)-4,5-dimethyl-