ChemSpider 2D Image | 3-{[4-(1H-1,2,4-Triazol-1-yl)phenyl]carbamoyl}-2-pyrazinecarboxylic acid | C14H10N6O3

3-{[4-(1H-1,2,4-Triazol-1-yl)phenyl]carbamoyl}-2-pyrazinecarboxylic acid

  • Molecular FormulaC14H10N6O3
  • Average mass310.268 Da
  • Monoisotopic mass310.081451 Da
  • ChemSpider ID23496802

More details:

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

2-Pyrazinecarboxylic acid, 3-[[[4-(1H-1,2,4-triazol-1-yl)phenyl]amino]carbonyl]- [ACD/Index Name]
3-{[4-(1H-1,2,4-Triazol-1-yl)phenyl]carbamoyl}-2-pyrazincarbonsäure [German] [ACD/IUPAC Name]
3-{[4-(1H-1,2,4-Triazol-1-yl)phenyl]carbamoyl}-2-pyrazinecarboxylic acid [ACD/IUPAC Name]
Acide 3-{[4-(1H-1,2,4-triazol-1-yl)phényl]carbamoyl}-2-pyrazinecarboxylique [French] [ACD/IUPAC Name]
1144429-34-4 [RN]
3-(4-[1,2,4]Triazol-1-yl-phenylcarbamoyl)-pyrazine-2-carboxylic acid
3-[[4-(1,2,4-triazol-1-yl)phenyl]carbamoyl]pyrazine-2-carboxylic acid
3-{[4-(1H-1,2,4-triazol-1-yl)phenyl]carbamoyl}pyrazine-2-carboxylic acid

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

    Density: 1.6±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.753
    Molar Refractivity: 81.2±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: -1.38
    ACD/LogD (pH 5.5): -2.89
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.14
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 123 Å2
    Polarizability: 32.2±0.5 10-24cm3
    Surface Tension: 72.9±7.0 dyne/cm
    Molar Volume: 198.6±7.0 cm3

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