6-(1H-1,2,4-Triazol-1-Yl)-7H-Purine
[CAS# 165546-19-0]

Identification

• Name: 6-(1H-1,2,4-Triazol-1-Yl)-7H-Purine
• Synonyms: 6-(1,2,4-Triazol-1y)-purine; 9H-PURINE,6-(1H-1,2,4-TRIAZOL-1-YL)-
• Molecular Formula: C₇H₅N₇
• Molecular Weight: 187.16
• CAS Registry Number: 165546-19-0
• SMILES: C1=NC2=C(N1)C(=NC=N2)N3C=NC=N3
• InChI: 1S/C7H5N7/c1-8-4-14(13-1)7-5-6(10-2-9-5)11-3-12-7/h1-4H,(H,9,10,11,12)
• InChIKey: CDRFYYRVYMLDLE-UHFFFAOYSA-N

Properties

• Density: 1.9±0.1g/cm³ (Cal.)
• Boiling point: 619.3±58.0°C at 760 mmHg (Cal.)
• Flash point: 328.3±32.3°C (Cal.)
• Refractive index: 2.001 (Cal.)