1-Acetyl-4,6-Dimethyl-1H-1,2,3-Triazolo[4,5-d]Pyrimidine-5,7(4H,6H)-Dione
[CAS# 7464-71-3]

Identification

• Name: 1-Acetyl-4,6-Dimethyl-1H-1,2,3-Triazolo[4,5-d]Pyrimidine-5,7(4H,6H)-Dione
• Synonyms: 1-Acetyl-4,6-Dimethyl-Triazolo[5,4-E]Pyrimidine-5,7-Dione; 1-Acetyl-4,6-Dimethyl-Triazolo[5,4-E]Pyrimidine-5,7-Quinone; 1-Ethanoyl-4,6-Dimethyl-[1,2,3]Triazolo[5,4-E]Pyrimidine-5,7-Dione
• Molecular Formula: C₈H₉N₅O₃
• Molecular Weight: 223.19
• CAS Registry Number: 7464-71-3
• SMILES: CN1C(=O)N(C)C2=C(C1=O)[N](C(=O)C)N=N2
• InChI: 1S/C8H9N5O3/c1-4(14)13-5-6(9-10-13)11(2)8(16)12(3)7(5)15/h1-3H3
• InChIKey: LFHLNXSEIBTRQS-UHFFFAOYSA-N

Properties

• Density: 1.648g/cm³ (Cal.)
• Boiling point: 427.947°C at 760 mmHg (Cal.)
• Flash point: 212.615°C (Cal.)