ChemSpider 2D Image | 5-Chloro-N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]-2-pyrimidinamine | C10H13ClN6

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

  • Molecular FormulaC10H13ClN6
  • Average mass252.703 Da
  • Monoisotopic mass252.089020 Da
  • ChemSpider ID67985472

More details:

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

2-Pyrimidinamine, 5-chloro-N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]- [ACD/Index Name]
5-Chlor-N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]-2-pyrimidinamin [German] [ACD/IUPAC Name]
5-Chloro-N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]-2-pyrimidinamine [ACD/IUPAC Name]
5-Chloro-N-[(4-propyl-4H-1,2,4-triazol-3-yl)méthyl]-2-pyrimidinamine [French] [ACD/IUPAC Name]
5-chloro-N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]pyrimidin-2-amine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 469.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.1±3.0 kJ/mol
Flash Point: 237.4±31.5 °C
Index of Refraction: 1.672
Molar Refractivity: 67.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.19
ACD/LogD (pH 5.5): 1.41
ACD/BCF (pH 5.5): 6.93
ACD/KOC (pH 5.5): 139.10
ACD/LogD (pH 7.4): 1.41
ACD/BCF (pH 7.4): 6.95
ACD/KOC (pH 7.4): 139.42
Polar Surface Area: 69 Å2
Polarizability: 26.6±0.5 10-24cm3
Surface Tension: 53.5±7.0 dyne/cm
Molar Volume: 179.4±7.0 cm3

Click to predict properties on the Chemicalize site


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