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CAS 886361-84-8

:

5-Phenyl-4-(1H-1,2,4-triazol-1-yl)-1,3-cyclohexanedione

Description:
5-Phenyl-4-(1H-1,2,4-triazol-1-yl)-1,3-cyclohexanedione is a chemical compound characterized by its unique structure, which includes a cyclohexanedione core substituted with a phenyl group and a triazole moiety. This compound typically exhibits properties such as moderate solubility in organic solvents, which can vary based on the solvent's polarity. The presence of the triazole ring suggests potential biological activity, as triazoles are often found in pharmaceuticals and agrochemicals due to their ability to interact with biological targets. The compound may also display interesting reactivity due to the diketone functionality, allowing for various chemical transformations. Its molecular structure contributes to its potential applications in fields such as medicinal chemistry and material science. Additionally, the compound's stability and reactivity can be influenced by environmental factors such as pH and temperature, making it important to consider these conditions in practical applications. Overall, 5-Phenyl-4-(1H-1,2,4-triazol-1-yl)-1,3-cyclohexanedione represents a versatile compound with potential utility in various chemical and biological contexts.
Formula:C14H13N3O2
InChI:InChI=1S/C14H13N3O2/c18-11-6-12(10-4-2-1-3-5-10)14(13(19)7-11)17-9-15-8-16-17/h1-5,8-9,12,14H,6-7H2
InChI key:InChIKey=HHERVNGKLVPCLC-UHFFFAOYSA-N
SMILES:O=C1C(C(CC(=O)C1)C2=CC=CC=C2)N3C=NC=N3
Synonyms:
  • 1,3-Cyclohexanedione, 5-phenyl-4-(1H-1,2,4-triazol-1-yl)-
  • 5-Phenyl-4-(1H-1,2,4-triazol-1-yl)-1,3-cyclohexanedione
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