1-Benzoyl-4,6-Dimethyl-1H-1,2,3-Triazolo[4,5-d]Pyrimidine-5,7(4H,6H)-Dione
[CAS# 7499-84-5]

Identification

• Name: 1-Benzoyl-4,6-Dimethyl-1H-1,2,3-Triazolo[4,5-d]Pyrimidine-5,7(4H,6H)-Dione
• Synonyms: 1-(Benzoyl)-4,6-Dimethyl-Triazolo[5,4-E]Pyrimidine-5,7-Dione; 4,6-Dimethyl-1-(Oxo-Phenylmethyl)Triazolo[5,4-E]Pyrimidine-5,7-Dione; 1-(Benzoyl)-4,6-Dimethyl-Triazolo[5,4-E]Pyrimidine-5,7-Quinone
• Molecular Formula: C₁₃H₁₁N₅O₃
• Molecular Weight: 285.26
• CAS Registry Number: 7499-84-5
• SMILES: C1=CC=C(C=C1)C([N]2N=NC3=C2C(N(C(=O)N3C)C)=O)=O
• InChI: 1S/C13H11N5O3/c1-16-10-9(12(20)17(2)13(16)21)18(15-14-10)11(19)8-6-4-3-5-7-8/h3-7H,1-2H3
• InChIKey: ITDCPYUALFOWDG-UHFFFAOYSA-N

Properties

• Density: 1.515g/cm³ (Cal.)
• Boiling point: 509.456°C at 760 mmHg (Cal.)
• Flash point: 261.91°C (Cal.)