ChemSpider 2D Image | 4-[3-(4-Pyridinyl)-1H-1,2,4-triazol-5-yl]pyridine 1-oxide | C12H9N5O

4-[3-(4-Pyridinyl)-1H-1,2,4-triazol-5-yl]pyridine 1-oxide

  • Molecular FormulaC12H9N5O
  • Average mass239.233 Da
  • Monoisotopic mass239.080704 Da
  • ChemSpider ID16142776

More details:

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

1-Oxyde de 4-[3-(4-pyridinyl)-1H-1,2,4-triazol-5-yl]pyridine [French] [ACD/IUPAC Name]
4-[3-(4-Pyridinyl)-1H-1,2,4-triazol-5-yl]pyridin-1-oxid [German] [ACD/IUPAC Name]
4-[3-(4-Pyridinyl)-1H-1,2,4-triazol-5-yl]pyridine 1-oxide [ACD/IUPAC Name]
Pyridine, 4-[3-(4-pyridinyl)-1H-1,2,4-triazol-5-yl]-, 1-oxide [ACD/Index Name]
36770-53-3 [RN]
4-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]pyridinium-1-olate
4-[5-(1-oxido-4-pyridinyl)-1H-1,2,4-triazol-3-yl]Pyridine
MFCD00662945 [MDL number]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 654.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.4±3.0 kJ/mol
Flash Point: 349.8±34.3 °C
Index of Refraction: 1.737
Molar Refractivity: 67.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.78
ACD/LogD (pH 5.5): 1.39
ACD/BCF (pH 5.5): 6.75
ACD/KOC (pH 5.5): 136.27
ACD/LogD (pH 7.4): 1.24
ACD/BCF (pH 7.4): 4.78
ACD/KOC (pH 7.4): 96.42
Polar Surface Area: 80 Å2
Polarizability: 26.6±0.5 10-24cm3
Surface Tension: 63.6±7.0 dyne/cm
Molar Volume: 167.2±7.0 cm3

Click to predict properties on the Chemicalize site


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