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CAS 1065074-18-1

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4-(3-Chloro-4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one

Description:
4-(3-Chloro-4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one is a chemical compound characterized by its triazole ring structure, which is a five-membered heterocyclic compound containing three nitrogen atoms. This substance features a chloro-substituted aromatic ring, contributing to its potential biological activity and chemical reactivity. The presence of the 2,4-dihydro-3H-1,2,4-triazol-3-one moiety suggests that it may exhibit properties typical of triazole derivatives, such as antifungal or antimicrobial activities. The chlorine and methyl groups on the phenyl ring can influence the compound's lipophilicity and overall pharmacokinetic profile. Additionally, the compound's molecular structure may allow for various interactions with biological targets, making it of interest in medicinal chemistry. Its CAS number, 1065074-18-1, serves as a unique identifier for regulatory and research purposes. Overall, this compound's unique structural features may lead to diverse applications in pharmaceuticals or agrochemicals, warranting further investigation into its properties and potential uses.
Formula:C9H8ClN3O
InChI:InChI=1S/C9H8ClN3O/c1-6-2-3-7(4-8(6)10)13-5-11-12-9(13)14/h2-5H,1H3,(H,12,14)
InChI key:InChIKey=FFUXAHFLJASLJH-UHFFFAOYSA-N
SMILES:O=C1N(C=NN1)C2=CC(Cl)=C(C)C=C2
Synonyms:
  • 4-(3-Chloro-4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
  • 3H-1,2,4-Triazol-3-one, 4-(3-chloro-4-methylphenyl)-2,4-dihydro-
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