ChemSpider 2D Image | 3-{[3-(5-Nitro-2-pyrazinyl)-2-propyn-1-yl]sulfanyl}-1H-1,2,4-triazol-5-amine | C9H7N7O2S

3-{[3-(5-Nitro-2-pyrazinyl)-2-propyn-1-yl]sulfanyl}-1H-1,2,4-triazol-5-amine

  • Molecular FormulaC9H7N7O2S
  • Average mass277.263 Da
  • Monoisotopic mass277.038177 Da
  • ChemSpider ID82172537

More details:

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

1H-1,2,4-Triazol-5-amine, 3-[[3-(5-nitro-2-pyrazinyl)-2-propyn-1-yl]thio]- [ACD/Index Name]
3-{[3-(5-Nitro-2-pyrazinyl)-2-propin-1-yl]sulfanyl}-1H-1,2,4-triazol-5-amin [German] [ACD/IUPAC Name]
3-{[3-(5-Nitro-2-pyrazinyl)-2-propyn-1-yl]sulfanyl}-1H-1,2,4-triazol-5-amine [ACD/IUPAC Name]
3-{[3-(5-Nitro-2-pyrazinyl)-2-propyn-1-yl]sulfanyl}-1H-1,2,4-triazol-5-amine [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 636.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.0±3.0 kJ/mol
Flash Point: 338.7±34.3 °C
Index of Refraction: 1.746
Molar Refractivity: 66.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.49
ACD/LogD (pH 5.5): 0.93
ACD/BCF (pH 5.5): 2.98
ACD/KOC (pH 5.5): 76.03
ACD/LogD (pH 7.4): 0.93
ACD/BCF (pH 7.4): 2.99
ACD/KOC (pH 7.4): 76.27
Polar Surface Area: 164 Å2
Polarizability: 26.2±0.5 10-24cm3
Surface Tension: 135.3±5.0 dyne/cm
Molar Volume: 163.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement