trans-1,5,6,9,9a,9b-Hexahydro-9a-methyl-8H-Azeto[1,2-a][1,2,3]triazolo[5,1-c]pyrazin-8-one
[CAS# 111197-30-9]

Identification

• Name: trans-1,5,6,9,9a,9b-Hexahydro-9a-methyl-8H-Azeto[1,2-a][1,2,3]triazolo[5,1-c]pyrazin-8-one
• Synonyms: (9aS,9bS)-9a-methyl-5,6,9,9a-tetrahydro-1H-azeto[1,2-a][1,2,3]triazolo[5,1-c]pyrazin-8(9bH)-one
• Molecular Formula: C₈H₁₂N₄O
• Molecular Weight: 180.21
• CAS Registry Number: 111197-30-9
• SMILES: C[C@@]12CC(=O)N1CCN3[C@H]2CN=N3
• InChI: 1S/C8H12N4O/c1-8-4-7(13)11(8)2-3-12-6(8)5-9-10-12/h6H,2-5H2,1H3/t6-,8-/m0/s1
• InChIKey: RHDWTIGCJFUDOC-XPUUQOCRSA-N

Properties

• Density: 1.66g/cm³ (Cal.)
• Boiling point: 314.609°C at 760 mmHg (Cal.)
• Flash point: 144.071°C (Cal.)
• Refractive index: 1.813 (Cal.)