ChemSpider 2D Image | 4-Amino-2-{[1-(4-isopropyl-4H-1,2,4-triazol-3-yl)ethyl]amino}-5-pyrimidinecarbonitrile | C12H16N8

4-Amino-2-{[1-(4-isopropyl-4H-1,2,4-triazol-3-yl)ethyl]amino}-5-pyrimidinecarbonitrile

  • Molecular FormulaC12H16N8
  • Average mass272.309 Da
  • Monoisotopic mass272.149780 Da
  • ChemSpider ID67900519

More details:

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

4-Amino-2-{[1-(4-isopropyl-4H-1,2,4-triazol-3-yl)ethyl]amino}-5-pyrimidincarbonitril [German] [ACD/IUPAC Name]
4-Amino-2-{[1-(4-isopropyl-4H-1,2,4-triazol-3-yl)ethyl]amino}-5-pyrimidinecarbonitrile [ACD/IUPAC Name]
4-Amino-2-{[1-(4-isopropyl-4H-1,2,4-triazol-3-yl)éthyl]amino}-5-pyrimidinecarbonitrile [French] [ACD/IUPAC Name]
5-Pyrimidinecarbonitrile, 4-amino-2-[[1-[4-(1-methylethyl)-4H-1,2,4-triazol-3-yl]ethyl]amino]- [ACD/Index Name]
4-amino-2-{[1-(4-isopropyl-4H-1,2,4-triazol-3-yl)ethyl]amino}pyrimidine-5-carbonitrile

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

Density: 1.4±0.1 g/cm3
Boiling Point: 558.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.1±3.0 kJ/mol
Flash Point: 291.7±32.9 °C
Index of Refraction: 1.703
Molar Refractivity: 75.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.06
ACD/LogD (pH 5.5): 0.71
ACD/BCF (pH 5.5): 2.03
ACD/KOC (pH 5.5): 57.74
ACD/LogD (pH 7.4): 0.71
ACD/BCF (pH 7.4): 2.04
ACD/KOC (pH 7.4): 58.06
Polar Surface Area: 118 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 56.7±7.0 dyne/cm
Molar Volume: 194.1±7.0 cm3

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