2,4,6-Triazatetracyclo[5.4.1.0^2,6.0^8,11]dodeca-1(11),3,7,9-tetraene
[CAS# 87683-31-6]

Identification

• Name: 2,4,6-Triazatetracyclo[5.4.1.0^2,6.0^8,11]dodeca-1(11),3,7,9-tetraene
• Synonyms: 1H-5,8-methanocyclobuta[d][1,2,4]triazolo[1,2-a]pyridazine
• Molecular Formula: C₉H₇N₃
• Molecular Weight: 157.17
• CAS Registry Number: 87683-31-6
• SMILES: c1cc-2c3n4n(c(c12)C3)CN=C4
• InChI: 1S/C9H7N3/c1-2-7-6(1)8-3-9(7)12-5-10-4-11(8)12/h1-2,4H,3,5H2
• InChIKey: RDIHRUAZVIYWHP-UHFFFAOYSA-N

Properties

• Density: 1.754g/cm³ (Cal.)
• Boiling point: 399.656°C at 760 mmHg (Cal.)
• Flash point: 195.505°C (Cal.)