ChemSpider 2D Image | 1,6-Dimethyl-N-{[4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]methyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine | C18H20N8

1,6-Dimethyl-N-{[4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]methyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine

  • Molecular FormulaC18H20N8
  • Average mass348.405 Da
  • Monoisotopic mass348.181091 Da
  • ChemSpider ID29535648

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1,6-Dimethyl-N-{[4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]methyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amin [German] [ACD/IUPAC Name]
1,6-Dimethyl-N-{[4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]methyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine [ACD/IUPAC Name]
1,6-Diméthyl-N-{[4-(2-phényléthyl)-4H-1,2,4-triazol-3-yl]méthyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine [French] [ACD/IUPAC Name]
1H-Pyrazolo[3,4-d]pyrimidin-4-amine, 1,6-dimethyl-N-[[4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]methyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 563.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.7±3.0 kJ/mol
Flash Point: 294.7±32.9 °C
Index of Refraction: 1.719
Molar Refractivity: 101.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.37
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 13.28
ACD/KOC (pH 5.5): 218.49
ACD/LogD (pH 7.4): 1.81
ACD/BCF (pH 7.4): 13.97
ACD/KOC (pH 7.4): 229.70
Polar Surface Area: 86 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 56.2±7.0 dyne/cm
Molar Volume: 256.3±7.0 cm3

Click to predict properties on the Chemicalize site


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