ChemSpider 2D Image | 2-(1H-1,2,4-Triazol-1-yl)-5-pyrimidinecarbaldehyde | C7H5N5O

2-(1H-1,2,4-Triazol-1-yl)-5-pyrimidinecarbaldehyde

  • Molecular FormulaC7H5N5O
  • Average mass175.148 Da
  • Monoisotopic mass175.049408 Da
  • ChemSpider ID60986426

More details:

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

2-(1H-1,2,4-Triazol-1-yl)-5-pyrimidincarbaldehyd [German] [ACD/IUPAC Name]
2-(1H-1,2,4-Triazol-1-yl)-5-pyrimidinecarbaldehyde [ACD/IUPAC Name]
2-(1H-1,2,4-Triazol-1-yl)-5-pyrimidinecarbaldéhyde [French] [ACD/IUPAC Name]
5-Pyrimidinecarboxaldehyde, 2-(1H-1,2,4-triazol-1-yl)- [ACD/Index Name]
1158735-13-7 [RN]
2-(1H-1,2,4-triazol-1-yl)pyrimidine-5-carbaldehyde
MFCD11840207

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

Density: 1.5±0.1 g/cm3
Boiling Point: 469.4±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.2±3.0 kJ/mol
Flash Point: 237.7±26.5 °C
Index of Refraction: 1.746
Molar Refractivity: 46.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.14
ACD/LogD (pH 5.5): -0.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.44
ACD/LogD (pH 7.4): -0.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.44
Polar Surface Area: 74 Å2
Polarizability: 18.5±0.5 10-24cm3
Surface Tension: 70.7±7.0 dyne/cm
Molar Volume: 115.1±7.0 cm3

Click to predict properties on the Chemicalize site


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