ChemSpider 2D Image | (E)-1-(1-Methyl-1H-pyrrol-2-yl)-N-(1H-1,2,4-triazol-3-yl)methanimine | C8H9N5

(E)-1-(1-Methyl-1H-pyrrol-2-yl)-N-(1H-1,2,4-triazol-3-yl)methanimine

  • Molecular FormulaC8H9N5
  • Average mass175.191 Da
  • Monoisotopic mass175.085800 Da
  • ChemSpider ID24741347

  • Double-bond stereo - Double-bond stereo

More details:

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

(E)-1-(1-Methyl-1H-pyrrol-2-yl)-N-(1H-1,2,4-triazol-3-yl)methanimin [German] [ACD/IUPAC Name]
(E)-1-(1-Methyl-1H-pyrrol-2-yl)-N-(1H-1,2,4-triazol-3-yl)methanimine [ACD/IUPAC Name]
(E)-1-(1-Méthyl-1H-pyrrol-2-yl)-N-(1H-1,2,4-triazol-3-yl)méthanimine [French] [ACD/IUPAC Name]
1H-1,2,4-Triazol-5-amine, N-[(1E)-(1-methyl-1H-pyrrol-2-yl)methylene]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 402.1±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.3±3.0 kJ/mol
Flash Point: 197.0±26.5 °C
Index of Refraction: 1.680
Molar Refractivity: 50.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.02
ACD/LogD (pH 5.5): 0.61
ACD/BCF (pH 5.5): 1.69
ACD/KOC (pH 5.5): 49.76
ACD/LogD (pH 7.4): 0.63
ACD/BCF (pH 7.4): 1.79
ACD/KOC (pH 7.4): 52.78
Polar Surface Area: 59 Å2
Polarizability: 19.9±0.5 10-24cm3
Surface Tension: 53.1±7.0 dyne/cm
Molar Volume: 133.1±7.0 cm3

Click to predict properties on the Chemicalize site


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