ChemSpider 2D Image | 1-Benzyl-5-(4-pyridinyl)-1H-1,2,3-triazole-4-carboxylic acid | C15H12N4O2

1-Benzyl-5-(4-pyridinyl)-1H-1,2,3-triazole-4-carboxylic acid

  • Molecular FormulaC15H12N4O2
  • Average mass280.281 Da
  • Monoisotopic mass280.096039 Da
  • ChemSpider ID25834404

More details:

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

1-Benzyl-5-(4-pyridinyl)-1H-1,2,3-triazol-4-carbonsäure [German] [ACD/IUPAC Name]
1-Benzyl-5-(4-pyridinyl)-1H-1,2,3-triazole-4-carboxylic acid [ACD/IUPAC Name]
1H-1,2,3-Triazole-4-carboxylic acid, 1-(phenylmethyl)-5-(4-pyridinyl)- [ACD/Index Name]
Acide 1-benzyl-5-(4-pyridinyl)-1H-1,2,3-triazole-4-carboxylique [French] [ACD/IUPAC Name]
[1338688-22-4] [RN]
1338688-22-4 [RN]
1-benzyl-5-(4-pyridyl)-1H-1,2,3-triazole-4-carboxylic acid
1-benzyl-5-(pyridin-4-yl)-1H-1,2,3-triazole-4-carboxylic acid
1-Benzyl-5-pyridin-4-yl-1H-1,2,3-triazole-4-carboxylic acid
BS-3646
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 521.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.7±3.0 kJ/mol
Flash Point: 269.4±32.9 °C
Index of Refraction: 1.683
Molar Refractivity: 78.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.78
ACD/LogD (pH 5.5): -0.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.66
ACD/LogD (pH 7.4): -1.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 81 Å2
Polarizability: 31.3±0.5 10-24cm3
Surface Tension: 57.9±7.0 dyne/cm
Molar Volume: 208.1±7.0 cm3

Click to predict properties on the Chemicalize site


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