ChemSpider 2D Image | 5-Chloro-N-{[1-(4-pyridinyl)-1H-1,2,3-triazol-4-yl]methyl}-2-pyrimidinamine | C12H10ClN7

5-Chloro-N-{[1-(4-pyridinyl)-1H-1,2,3-triazol-4-yl]methyl}-2-pyrimidinamine

  • Molecular FormulaC12H10ClN7
  • Average mass287.708 Da
  • Monoisotopic mass287.068634 Da
  • ChemSpider ID77445831

More details:

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

2-Pyrimidinamine, 5-chloro-N-[[1-(4-pyridinyl)-1H-1,2,3-triazol-4-yl]methyl]- [ACD/Index Name]
5-Chlor-N-{[1-(4-pyridinyl)-1H-1,2,3-triazol-4-yl]methyl}-2-pyrimidinamin [German] [ACD/IUPAC Name]
5-Chloro-N-{[1-(4-pyridinyl)-1H-1,2,3-triazol-4-yl]methyl}-2-pyrimidinamine [ACD/IUPAC Name]
5-Chloro-N-{[1-(4-pyridinyl)-1H-1,2,3-triazol-4-yl]méthyl}-2-pyrimidinamine [French] [ACD/IUPAC Name]
2380041-91-6 [RN]
5-chloro-N-{[1-(pyridin-4-yl)-1H-1,2,3-triazol-4-yl]methyl}pyrimidin-2-amine

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

Density: 1.5±0.1 g/cm3
Boiling Point: 577.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.5±3.0 kJ/mol
Flash Point: 303.2±32.9 °C
Index of Refraction: 1.753
Molar Refractivity: 77.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.68
ACD/LogD (pH 5.5): 1.13
ACD/BCF (pH 5.5): 4.26
ACD/KOC (pH 5.5): 98.29
ACD/LogD (pH 7.4): 1.13
ACD/BCF (pH 7.4): 4.27
ACD/KOC (pH 7.4): 98.32
Polar Surface Area: 81 Å2
Polarizability: 30.6±0.5 10-24cm3
Surface Tension: 64.6±7.0 dyne/cm
Molar Volume: 188.7±7.0 cm3

Click to predict properties on the Chemicalize site


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