ChemSpider 2D Image | 1-Methyl-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine | C18H20N8

1-Methyl-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

  • Molecular FormulaC18H20N8
  • Average mass348.405 Da
  • Monoisotopic mass348.181091 Da
  • ChemSpider ID29674634

More details:

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

1H-Pyrazolo[3,4-d]pyrimidin-4-amine, 1-methyl-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-6-propyl- [ACD/Index Name]
1-Methyl-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-amin [German] [ACD/IUPAC Name]
1-Methyl-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine [ACD/IUPAC Name]
1-Méthyl-N-[(3-phényl-1H-1,2,4-triazol-5-yl)méthyl]-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine [French] [ACD/IUPAC 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: 573.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.9±3.0 kJ/mol
Flash Point: 300.6±32.9 °C
Index of Refraction: 1.734
Molar Refractivity: 100.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.57
ACD/LogD (pH 5.5): 2.30
ACD/BCF (pH 5.5): 32.64
ACD/KOC (pH 5.5): 415.97
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 34.17
ACD/KOC (pH 7.4): 435.44
Polar Surface Area: 97 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 57.0±7.0 dyne/cm
Molar Volume: 250.3±7.0 cm3

Click to predict properties on the Chemicalize site


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