3-(2-Aminophenyl)-6,9-Dihydro-9-Methyl-6-Propyl-5H-1,2,4-Triazolo[3,4-I]Purin-5-One
[CAS# 135445-84-0]

Identification

• Name: 3-(2-Aminophenyl)-6,9-Dihydro-9-Methyl-6-Propyl-5H-1,2,4-Triazolo[3,4-I]Purin-5-One
• Synonyms: 3-(2-Aminophenyl)-9-Methyl-6-Propyl-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-(2-Aminophenyl)-9-Methyl-6-Propyl-; 6,9-Dihydro-9-Methyl-6-N-Propyl-3-(2-Aminophenyl)-5H-1,2,4-Triazolo(3,4-I)Purin-5-One
• Molecular Formula: C₁₆H₁₇N₇O
• Molecular Weight: 323.36
• CAS Registry Number: 135445-84-0
• SMILES: C4=CC=C(C1=NN=C2[N]1C(N(C3=C2[N](C=N3)C)CCC)=O)C(=C4)N
• InChI: 1S/C16H17N7O/c1-3-8-22-14-12(21(2)9-18-14)15-20-19-13(23(15)16(22)24)10-6-4-5-7-11(10)17/h4-7,9H,3,8,17H2,1-2H3
• InChIKey: GIROFKHYVQPUGV-UHFFFAOYSA-N

Properties

• Density: 1.504g/cm³ (Cal.)
• Boiling point: 699.245°C at 760 mmHg (Cal.)
• Flash point: 376.69°C (Cal.)