3-(2-Chlorophenyl)-6,9-Dihydro-9-Methyl-6-Propyl-5H-1,2,4-Triazolo[3,4-I]Purin-5-One
[CAS# 135445-81-7]

Identification

• Name: 3-(2-Chlorophenyl)-6,9-Dihydro-9-Methyl-6-Propyl-5H-1,2,4-Triazolo[3,4-I]Purin-5-One
• Synonyms: 5H-1,2,4-Triazolo(3,4-I)Purin-5-One, 6,9-Dihydro-3-(2-Chlorophenyl)-9-Methyl-6-Propyl-; 6,9-Dihydro-9-Methyl-6-N-Propyl-3-(2-Chlorophenyl)-5H-1,2,4-Triazolo(3,4-I)Purin-5-One; 3-(2-Chlorophenyl)-9-Methyl-6-Propyl-6,9-Dihydro-5H-1,2,4-Triazolo(3,4-I)Purin-5-One
• Molecular Formula: C₁₆H₁₅ClN₆O
• Molecular Weight: 342.79
• CAS Registry Number: 135445-81-7
• SMILES: C1=C(C(=CC=C1)C2=NN=C3[N]2C(N(C4=C3[N](C=N4)C)CCC)=O)Cl
• InChI: 1S/C16H15ClN6O/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,3,8H2,1-2H3
• InChIKey: SFSZOZRCNBNBGL-UHFFFAOYSA-N

Properties

• Density: 1.507g/cm³ (Cal.)
• Boiling point: 667.65°C at 760 mmHg (Cal.)
• Flash point: 357.582°C (Cal.)