3,9-Dimethyl-6-(Phenylmethyl)-[1,2,4]Triazolo[3,4-f]Purin-5-One
[CAS# 135446-07-0]

Identification

• Name: 3,9-Dimethyl-6-(Phenylmethyl)-[1,2,4]Triazolo[3,4-f]Purin-5-One
• Synonyms: 6-(Benzyl)-3,9-Dimethyl-[1,2,4]Triazolo[3,4-F]Purin-5-One; 3,9-Dimethyl-6-(Phenylmethyl)-6,9-Dihydro-5H-1,2,4-Triazolo(3,4-I)Purin-5-One; 5H-1,2,4-Triazolo(3,4-I)Purin-5-One, 6,9-Dihydro-3,9-Dimethyl-6-(Phenylmethyl)-
• Molecular Formula: C₁₅H₁₄N₆O
• Molecular Weight: 294.32
• CAS Registry Number: 135446-07-0
• SMILES: C4=NC2=C(C1=NN=C([N]1C(N2CC3=CC=CC=C3)=O)C)[N]4C
• InChI: 1S/C15H14N6O/c1-10-17-18-14-12-13(16-9-19(12)2)20(15(22)21(10)14)8-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3
• InChIKey: VTLXSLBNOQBUGC-UHFFFAOYSA-N

Properties

• Density: 1.456g/cm³ (Cal.)
• Boiling point: 670.278°C at 760 mmHg (Cal.)
• Flash point: 359.171°C (Cal.)