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Search term: QYUNZLTYDOGJCE-UONOGXRCSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 3-{[(1R,2S)-2-Aminocyclohexyl]amino}-5-{[3-(2H-1,2,3-triazol-2-yl)phenyl]amino}-1,2,4-triazine-6-carboxamide | C18H22N10O

3-{[(1R,2S)-2-Aminocyclohexyl]amino}-5-{[3-(2H-1,2,3-triazol-2-yl)phenyl]amino}-1,2,4-triazine-6-carboxamide

  • Molecular FormulaC18H22N10O
  • Average mass394.434 Da
  • Monoisotopic mass394.197815 Da
  • ChemSpider ID35035342

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,2,4-Triazine-6-carboxamide, 3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-[[3-(2H-1,2,3-triazol-2-yl)phenyl]amino]- [ACD/Index Name]
3-{[(1R,2S)-2-Aminocyclohexyl]amino}-5-{[3-(2H-1,2,3-triazol-2-yl)phenyl]amino}-1,2,4-triazin-6-carboxamid [German] [ACD/IUPAC Name]
3-{[(1R,2S)-2-Aminocyclohexyl]amino}-5-{[3-(2H-1,2,3-triazol-2-yl)phenyl]amino}-1,2,4-triazine-6-carboxamide [ACD/IUPAC Name]
3-{[(1R,2S)-2-Aminocyclohexyl]amino}-5-{[3-(2H-1,2,3-triazol-2-yl)phényl]amino}-1,2,4-triazine-6-carboxamide [French] [ACD/IUPAC Name]
3YV

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

Density: 1.6±0.1 g/cm3
Boiling Point: 721.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.3±3.0 kJ/mol
Flash Point: 389.9±35.7 °C
Index of Refraction: 1.816
Molar Refractivity: 105.3±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -0.72
ACD/LogD (pH 5.5): -2.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 163 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 78.5±7.0 dyne/cm
Molar Volume: 242.7±7.0 cm3

Click to predict properties on the Chemicalize site


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