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CAS 54671-66-8

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5-Chloro-1H-1,2,4-triazole-3-carboxamide

Description:
5-Chloro-1H-1,2,4-triazole-3-carboxamide 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 substituent at the 5-position and a carboxamide functional group at the 3-position, contributing to its reactivity and potential applications in various fields, including pharmaceuticals and agrochemicals. The presence of the chlorine atom enhances its biological activity and may influence its solubility and stability. As a triazole derivative, it may exhibit antifungal properties, making it of interest in agricultural applications. The compound is typically synthesized through specific organic reactions that involve the introduction of the chloro and carboxamide groups onto the triazole framework. Its molecular properties, such as melting point, solubility, and spectral characteristics, are essential for understanding its behavior in different environments and its interactions with biological systems. Safety data sheets should be consulted for handling and storage guidelines, as with any chemical substance.
Formula:C3H3ClN4O
InChI:InChI=1S/C3H3ClN4O/c4-3-6-2(1(5)9)7-8-3/h(H2,5,9)(H,6,7,8)
InChI key:InChIKey=MOSLIRLHACAEFP-UHFFFAOYSA-N
SMILES:C(N)(=O)C=1NC(Cl)=NN1
Synonyms:
  • 5-Chloro-1H-1,2,4-triazole-3-carboxamide
  • 1H-1,2,4-Triazole-3-carboxamide, 5-chloro-
  • 3-Chloro-1H-1,2,4-triazole-5-carboxamide
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