5-(4-Pyridyl)-1H-1,2,4-triazol-3(2H)-one
[CAS# 939-08-2]

Identification

• Name: 5-(4-Pyridyl)-1H-1,2,4-triazol-3(2H)-one
• Synonyms: 5-(4-Pyridyl)-1,2-Dihydro-1,2,4-Triazol-3-One; 4H-1,2,4-Triazol-3-Ol, 5-(4-Pyridinyl)-; Aids-192902
• Molecular Formula: C₇H₆N₄O
• Molecular Weight: 162.15
• CAS Registry Number: 939-08-2
• SMILES: C1=CC(=CC=N1)C2=NC(NN2)=O
• 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.)