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CAS 939-07-1

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1,2-Dihydro-5-phenyl-3H-1,2,4-triazol-3-one

Description:
1,2-Dihydro-5-phenyl-3H-1,2,4-triazol-3-one, with the CAS number 939-07-1, is a heterocyclic compound characterized by its triazole ring structure, which contains three nitrogen atoms and two carbon atoms. This compound typically exhibits a white to off-white crystalline appearance and is soluble in polar organic solvents. It is known for its potential applications in pharmaceuticals and agrochemicals, often acting as an intermediate in the synthesis of various biologically active compounds. The presence of the phenyl group contributes to its chemical reactivity and stability, influencing its interactions in biological systems. Additionally, the compound may exhibit properties such as antimicrobial or antifungal activity, making it of interest in medicinal chemistry. Its molecular structure allows for various functional modifications, which can enhance its efficacy or alter its pharmacokinetic properties. As with many triazole derivatives, it may also participate in hydrogen bonding, affecting its solubility and interaction with biological targets.
Formula:C8H7N3O
InChI:InChI=1S/C8H7N3O/c12-8-9-7(10-11-8)6-4-2-1-3-5-6/h1-5H,(H2,9,10,11,12)
InChI key:InChIKey=FFSXNTGAFSVILG-UHFFFAOYSA-N
SMILES:O=C1NC(=NN1)C2=CC=CC=C2
Synonyms:
  • 1,2-Dihydro-5-phenyl-3H-1,2,4-triazol-3-one
  • 1H-1,2,4-triazol-3-ol, 5-phenyl-
  • 3-Phenyl-1,2,4-triazolin-5-one
  • 3-Phenyl-4,5-dihydro-1H-1,2,4-triazol-5-one
  • 3-Phenyl-Δ<sup>2</sup>-1,2,4-triazolin-5-one
  • 3-Phenyl-Δ<sup>3</sup>-1,2,4-triazol-5-one
  • 3-phenyl-1H-1,2,4-triazol-5-ol
  • 3H-1,2,4-Triazol-3-one, 1,2-dihydro-5-phenyl-
  • 5-phenyl-1H-1,2,4-triazol-3-ol
  • NSC 83337
  • See more synonyms
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