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CAS 1817687-97-0

:

4-(3,5-Difluorophenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one

Description:
4-(3,5-Difluorophenyl)-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 ring containing three nitrogen atoms. This compound features a difluorophenyl group, indicating the presence of two fluorine atoms on a phenyl ring, which can significantly influence its electronic properties and reactivity. The presence of the triazolone functional group contributes to its potential biological activity, as triazoles are known for their applications in pharmaceuticals, particularly as antifungal agents. The compound's molecular structure suggests it may exhibit unique interactions with biological targets due to the electronegative fluorine atoms, which can enhance lipophilicity and alter binding affinities. Additionally, the dihydro form indicates that the compound may exist in a partially saturated state, which can affect its stability and reactivity. Overall, this compound's characteristics make it a subject of interest in medicinal chemistry and material science, where its properties can be exploited for various applications.
Formula:C8H5F2N3O
InChI:InChI=1S/C8H5F2N3O/c9-5-1-6(10)3-7(2-5)13-4-11-12-8(13)14/h1-4H,(H,12,14)
InChI key:InChIKey=BHPGQUAXEJSDAT-UHFFFAOYSA-N
SMILES:O=C1N(C=NN1)C2=CC(F)=CC(F)=C2
Synonyms:
  • 3H-1,2,4-Triazol-3-one, 4-(3,5-difluorophenyl)-2,4-dihydro-
  • 4-(3,5-Difluorophenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
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