3,6-Dimethyl-2H-Triazolo[4,5-e]Pyrimidine-5,7-Dione
[CAS# 2278-14-0]

Identification

• Name: 3,6-Dimethyl-2H-Triazolo[4,5-e]Pyrimidine-5,7-Dione
• Synonyms: 3,6-Dimethyl-2H-Triazolo[4,5-E]Pyrimidine-5,7-Quinone; 3,6-Dimethyl-2H-[1,2,3]Triazolo[4,5-E]Pyrimidine-5,7-Dione; 1,9-Dimethyl-8-Azaxanthin
• Molecular Formula: C₆H₇N₅O₂
• Molecular Weight: 181.15
• CAS Registry Number: 2278-14-0
• SMILES: CN1NN=C2C1=NC(=O)N(C2=O)C
• InChI: 1S/C6H7N5O2/c1-10-5(12)3-4(7-6(10)13)11(2)9-8-3/h9H,1-2H3
• InChIKey: KAFXXRYGIGNAEW-UHFFFAOYSA-N

Properties

• Density: 1.799g/cm³ (Cal.)
• Boiling point: 246.068°C at 760 mmHg (Cal.)
• Flash point: 102.619°C (Cal.)