ChemSpider 2D Image | 2-Amino-7-bromoimidazo[2,1-f][1,2,4]triazin-4(1H)-one | C5H4BrN5O

2-Amino-7-bromoimidazo[2,1-f][1,2,4]triazin-4(1H)-one

  • Molecular FormulaC5H4BrN5O
  • Average mass230.022 Da
  • Monoisotopic mass228.959915 Da
  • ChemSpider ID58178748

More details:

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

1379323-68-8 [RN]
2-Amino-7-bromimidazo[2,1-f][1,2,4]triazin-4(1H)-on [German] [ACD/IUPAC Name]
2-amino-7-bromo-1H,4H-imidazo[2,1-f][1,2,4]triazin-4-one
2-Amino-7-bromoimidazo[2,1-f][1,2,4]triazin-4(1H)-one [ACD/IUPAC Name]
2-Amino-7-bromoimidazo[2,1-f][1,2,4]triazin-4(1H)-one [French] [ACD/IUPAC Name]
Imidazo[2,1-f][1,2,4]triazin-4(1H)-one, 2-amino-7-bromo- [ACD/Index Name]
2-amino-7-bromo-1H-imidazo[2,1-f][1,2,4]triazin-4-one
MFCD16250245
MFCD30471619
NC1=NC(=O)C2=NC=C(Br)N2N1

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

    Density: 2.6±0.1 g/cm3
    Boiling Point: 438.0±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 69.5±3.0 kJ/mol
    Flash Point: 218.7±26.5 °C
    Index of Refraction: 2.006
    Molar Refractivity: 43.9±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 3
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: -0.86
    ACD/LogD (pH 5.5): -0.61
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 11.05
    ACD/LogD (pH 7.4): -0.61
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 11.05
    Polar Surface Area: 85 Å2
    Polarizability: 17.4±0.5 10-24cm3
    Surface Tension: 116.5±7.0 dyne/cm
    Molar Volume: 87.5±7.0 cm3

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