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

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

  • Molecular FormulaC10H13ClN6
  • Average mass252.703 Da
  • Monoisotopic mass252.089020 Da
  • ChemSpider ID30120076

More details:

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

2-Pyrimidinamine, 5-chloro-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]- [ACD/Index Name]
5-Chlor-N-[3-(3-methyl-1H-1,2,4-triazol-5-yl)propyl]-2-pyrimidinamin [German] [ACD/IUPAC Name]
5-Chloro-N-[3-(3-methyl-1H-1,2,4-triazol-5-yl)propyl]-2-pyrimidinamine [ACD/IUPAC Name]
5-Chloro-N-[3-(3-méthyl-1H-1,2,4-triazol-5-yl)propyl]-2-pyrimidinamine [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: 518.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.1±3.0 kJ/mol
Flash Point: 267.4±32.9 °C
Index of Refraction: 1.647
Molar Refractivity: 66.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.64
ACD/LogD (pH 5.5): 1.43
ACD/BCF (pH 5.5): 7.10
ACD/KOC (pH 5.5): 140.26
ACD/LogD (pH 7.4): 1.44
ACD/BCF (pH 7.4): 7.33
ACD/KOC (pH 7.4): 144.85
Polar Surface Area: 79 Å2
Polarizability: 26.2±0.5 10-24cm3
Surface Tension: 70.5±3.0 dyne/cm
Molar Volume: 182.0±3.0 cm3

Click to predict properties on the Chemicalize site


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