ChemSpider 2D Image | 1-(2-Pyrimidinylmethyl)-1H-1,2,3-triazol-4-amine | C7H8N6

1-(2-Pyrimidinylmethyl)-1H-1,2,3-triazol-4-amine

  • Molecular FormulaC7H8N6
  • Average mass176.179 Da
  • Monoisotopic mass176.081039 Da
  • ChemSpider ID52196043

More details:

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

1-(2-Pyrimidinylmethyl)-1H-1,2,3-triazol-4-amin [German] [ACD/IUPAC Name]
1-(2-Pyrimidinylmethyl)-1H-1,2,3-triazol-4-amine [ACD/IUPAC Name]
1-(2-Pyrimidinylméthyl)-1H-1,2,3-triazol-4-amine [French] [ACD/IUPAC Name]
1H-1,2,3-Triazol-4-amine, 1-(2-pyrimidinylmethyl)- [ACD/Index Name]
1-(Pyrimidin-2-ylmethyl)-1h-1,2,3-triazol-4-amine
1-[(pyrimidin-2-yl)methyl]-1H-1,2,3-triazol-4-amine
1537028-04-8 [RN]
MFCD21947569

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

Density: 1.5±0.1 g/cm3
Boiling Point: 402.1±51.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.3±3.0 kJ/mol
Flash Point: 197.0±30.4 °C
Index of Refraction: 1.773
Molar Refractivity: 47.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.80
ACD/LogD (pH 5.5): -0.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.64
ACD/LogD (pH 7.4): -0.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.64
Polar Surface Area: 83 Å2
Polarizability: 18.9±0.5 10-24cm3
Surface Tension: 73.2±7.0 dyne/cm
Molar Volume: 114.6±7.0 cm3

Click to predict properties on the Chemicalize site


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