ChemSpider 2D Image | N~4~-{[3-(4-Pyridinyl)-1H-1,2,4-triazol-5-yl]methyl}-5,6,7,8-tetrahydro-2,4-quinazolinediamine | C16H18N8

N4-{[3-(4-Pyridinyl)-1H-1,2,4-triazol-5-yl]methyl}-5,6,7,8-tetrahydro-2,4-quinazolinediamine

  • Molecular FormulaC16H18N8
  • Average mass322.368 Da
  • Monoisotopic mass322.165436 Da
  • ChemSpider ID29499472

More details:

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

2,4-Quinazolinediamine, 5,6,7,8-tetrahydro-N4-[[3-(4-pyridinyl)-1H-1,2,4-triazol-5-yl]methyl]- [ACD/Index Name]
N4-{[3-(4-Pyridinyl)-1H-1,2,4-triazol-5-yl]methyl}-5,6,7,8-tetrahydro-2,4-chinazolindiamin [German] [ACD/IUPAC Name]
N4-{[3-(4-Pyridinyl)-1H-1,2,4-triazol-5-yl]methyl}-5,6,7,8-tetrahydro-2,4-quinazolinediamine [ACD/IUPAC Name]
N4-{[3-(4-Pyridinyl)-1H-1,2,4-triazol-5-yl]méthyl}-5,6,7,8-tétrahydro-2,4-quinazolinediamine [French] [ACD/IUPAC Name]
N4-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 751.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.5±3.0 kJ/mol
Flash Point: 408.1±35.7 °C
Index of Refraction: 1.727
Molar Refractivity: 90.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.28
ACD/LogD (pH 5.5): 0.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.44
ACD/LogD (pH 7.4): 1.47
ACD/BCF (pH 7.4): 5.24
ACD/KOC (pH 7.4): 71.86
Polar Surface Area: 118 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 85.3±3.0 dyne/cm
Molar Volume: 228.4±3.0 cm3

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