ChemSpider 2D Image | 2-{[(3-Amino-1H-1,2,4-triazol-5-yl)methyl]carbamoyl}benzoic acid | C11H11N5O3

2-{[(3-Amino-1H-1,2,4-triazol-5-yl)methyl]carbamoyl}benzoic acid

  • Molecular FormulaC11H11N5O3
  • Average mass261.237 Da
  • Monoisotopic mass261.086182 Da
  • ChemSpider ID26457764

More details:

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

1306738-53-3 [RN]
2-{[(3-Amino-1H-1,2,4-triazol-5-yl)methyl]carbamoyl}benzoesäure [German] [ACD/IUPAC Name]
2-{[(3-Amino-1H-1,2,4-triazol-5-yl)methyl]carbamoyl}benzoic acid [ACD/IUPAC Name]
Acide 2-{[(3-amino-1H-1,2,4-triazol-5-yl)méthyl]carbamoyl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[[(5-amino-1H-1,2,4-triazol-3-yl)methyl]amino]carbonyl]- [ACD/Index Name]
2-(((5-Amino-1H-1,2,4-triazol-3-yl)methyl)carbamoyl)benzoic acid
2-({[(5-amino-1H-1,2,4-triazol-3-yl)methyl]amino}carbonyl)benzoic acid
2-({[(5-Amino-1H-1,2,4-triazol-3-yl)methyl]-amino}carbonyl)benzoic acid
2-[(3-amino-1H-1,2,4-triazol-5-yl)methylcarbamoyl]benzoic acid
benzoic acid, 2-[[[(5-amino-1H-1,2,4-triazol-3-yl)methyl]amino]carbonyl]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.706
    Molar Refractivity: 66.1±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 5
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 1
    ACD/LogP: -1.08
    ACD/LogD (pH 5.5): -2.68
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.67
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 134 Å2
    Polarizability: 26.2±0.5 10-24cm3
    Surface Tension: 93.2±3.0 dyne/cm
    Molar Volume: 170.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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