3,4,5,8,10-Pentaazatricyclo[6.2.1.0^2,6]Undeca-1,3,6,9-Tetraene
[CAS# 478919-91-4]

Identification

• Name: 3,4,5,8,10-Pentaazatricyclo[6.2.1.0^2,6]Undeca-1,3,6,9-Tetraene
• Synonyms: 1H-4,7-methano[1,2,3]triazolo[4,5-e][1,3]diazepine
• Molecular Formula: C₆H₅N₅
• Molecular Weight: 147.14
• CAS Registry Number: 478919-91-4
• SMILES: C1C2=c3c(=CN1C=N2)[nH]nn3
• InChI: 1S/C6H5N5/c1-4-6-5(8-10-9-6)2-11(1)3-7-4/h2-3H,1H2,(H,8,9)
• InChIKey: OTYREZRZAHJBPP-UHFFFAOYSA-N

Properties

• Density: 2.012g/cm³ (Cal.)
• Boiling point: 202.319°C at 760 mmHg (Cal.)
• Flash point: 76.16°C (Cal.)
• Refractive index: 2.092 (Cal.)