3-Phenyl-1H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione, with the CAS registry number 42754-82-5, is also named as 1H-Pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione, 3-phenyl-. This chemical's molecular formula is C₁₁H₈N₄O₂ and molecular weight is 228.21. What's more, its systematic name is 3-Phenyl-1H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione.

Physical properties of 3-Phenyl-1H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione are: (1)ACD/LogP: 1.248; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.25; (4)ACD/LogD (pH 7.4): -2.25; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 94.92 Å²; (13)Index of Refraction: 1.795; (14)Molar Refractivity: 61.158 cm³; (15)Molar Volume: 143.687 cm³; (16)Polarizability: 24.245×10^-24cm³; (17)Surface Tension: 101.9 dyne/cm; (18)Density: 1.588 g/cm³; (19)Flash Point: 353.345 °C; (20)Enthalpy of Vaporization: 100.732 kJ/mol; (21)Boiling Point: 660.643 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc2nc1nnc(c1c(O)n2)c3ccccc3
(2)Std. InChI: InChI=1S/C11H8N4O2/c16-10-7-8(6-4-2-1-3-5-6)14-15-9(7)12-11(17)13-10/h1-5H,(H3,12,13,14,15,16,17)
(3)Std. InChIKey: KOZZWYKKLBHHEY-UHFFFAOYSA-N