ChemSpider 2D Image | 1-[4-Methyl-6-(2-propyn-1-ylamino)-1,3,5-triazin-2-yl]-N-(1H-pyrazol-3-yl)-1H-benzimidazol-2-amine | C17H15N9

1-[4-Methyl-6-(2-propyn-1-ylamino)-1,3,5-triazin-2-yl]-N-(1H-pyrazol-3-yl)-1H-benzimidazol-2-amine

  • Molecular FormulaC17H15N9
  • Average mass345.361 Da
  • Monoisotopic mass345.145050 Da
  • ChemSpider ID26345563

More details:

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

1-[4-Methyl-6-(2-propin-1-ylamino)-1,3,5-triazin-2-yl]-N-(1H-pyrazol-3-yl)-1H-benzimidazol-2-amin [German] [ACD/IUPAC Name]
1-[4-Methyl-6-(2-propyn-1-ylamino)-1,3,5-triazin-2-yl]-N-(1H-pyrazol-3-yl)-1H-benzimidazol-2-amine [ACD/IUPAC Name]
1-[4-Méthyl-6-(2-propyn-1-ylamino)-1,3,5-triazin-2-yl]-N-(1H-pyrazol-3-yl)-1H-benzimidazol-2-amine [French] [ACD/IUPAC Name]
1H-Benzimidazol-2-amine, 1-[4-methyl-6-(2-propyn-1-ylamino)-1,3,5-triazin-2-yl]-N-1H-pyrazol-3-yl- [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: 688.9±61.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.0±3.0 kJ/mol
Flash Point: 370.4±33.2 °C
Index of Refraction: 1.764
Molar Refractivity: 98.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.82
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 21.69
ACD/KOC (pH 5.5): 311.00
ACD/LogD (pH 7.4): 2.08
ACD/BCF (pH 7.4): 22.57
ACD/KOC (pH 7.4): 323.73
Polar Surface Area: 109 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 61.4±7.0 dyne/cm
Molar Volume: 238.9±7.0 cm3

Click to predict properties on the Chemicalize site


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