5-(4-Pyridinyl)-1,2-dihydro-3H-1,2,4-triazol-3-one
[CAS# 995-82-4]

Identification

• Name: 5-(4-Pyridinyl)-1,2-dihydro-3H-1,2,4-triazol-3-one
• Synonyms: 3-(Pyridin-4-yl)-1H-1,2,4-triazol-5(4H)-one; 3-Hydroxy-5-(4-pyridyl)-1,2,4(H)-triazole; 4H-1,2,4-Triazol-3-ol, 5-(4-pyridinyl)-
• Molecular Formula: C₇H₆N₄O
• Molecular Weight: 162.15
• CAS Registry Number: 995-82-4
• SMILES: O=C2/N=C(/c1ccncc1)NN2
• InChI: 1S/C7H6N4O/c12-7-9-6(10-11-7)5-1-3-8-4-2-5/h1-4H,(H2,9,10,11,12)
• InChIKey: UKPXYDJSESBHPR-UHFFFAOYSA-N

Properties

• Density: 1.555g/cm³ (Cal.)
• Boiling point: 508.9°C at 760 mmHg (Cal.)
• Flash point: 261.6°C (Cal.)