ChemSpider 2D Image | (1-Ethyl-1H-benzotriazol-5-yl)[4-(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1-piperazinyl]methanone | C19H21N9O

(1-Ethyl-1H-benzotriazol-5-yl)[4-(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1-piperazinyl]methanone

  • Molecular FormulaC19H21N9O
  • Average mass391.430 Da
  • Monoisotopic mass391.186920 Da
  • ChemSpider ID21949371

More details:

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

(1-Ethyl-1H-benzotriazol-5-yl)[4-(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1-piperazinyl]methanon [German] [ACD/IUPAC Name]
(1-Ethyl-1H-benzotriazol-5-yl)[4-(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1-piperazinyl]methanone [ACD/IUPAC Name]
(1-Éthyl-1H-benzotriazol-5-yl)[4-(1-méthyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1-pipérazinyl]méthanone [French] [ACD/IUPAC Name]
Methanone, (1-ethyl-1H-1,2,3-benzotriazol-5-yl)[4-(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1-piperazinyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 669.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.4±3.0 kJ/mol
Flash Point: 358.9±31.5 °C
Index of Refraction: 1.787
Molar Refractivity: 108.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -0.60
ACD/LogD (pH 5.5): 0.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 28.49
ACD/LogD (pH 7.4): 0.54
ACD/BCF (pH 7.4): 1.50
ACD/KOC (pH 7.4): 46.37
Polar Surface Area: 98 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 67.7±7.0 dyne/cm
Molar Volume: 258.0±7.0 cm3

Click to predict properties on the Chemicalize site


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