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Search term: OYUDNKFIGXAIRZ-KESTWPANSA-N (Found by InChIKey (full match))

ChemSpider 2D Image | N~3~-{4-[trans-4-(4-Morpholinyl)cyclohexyl]phenyl}-1-(2-pyridinyl)-1H-1,2,4-triazole-3,5-diamine | C23H29N7O

N3-{4-[trans-4-(4-Morpholinyl)cyclohexyl]phenyl}-1-(2-pyridinyl)-1H-1,2,4-triazole-3,5-diamine

  • Molecular FormulaC23H29N7O
  • Average mass419.523 Da
  • Monoisotopic mass419.243347 Da
  • ChemSpider ID26636612
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

1H-1,2,4-Triazole-3,5-diamine, N3-[4-[trans-4-(4-morpholinyl)cyclohexyl]phenyl]-1-(2-pyridinyl)- [ACD/Index Name]
N3-{4-[trans-4-(4-Morpholinyl)cyclohexyl]phenyl}-1-(2-pyridinyl)-1H-1,2,4-triazol-3,5-diamin [German] [ACD/IUPAC Name]
N3-{4-[trans-4-(4-Morpholinyl)cyclohexyl]phenyl}-1-(2-pyridinyl)-1H-1,2,4-triazole-3,5-diamine [ACD/IUPAC Name]
N3-{4-[trans-4-(4-Morpholinyl)cyclohexyl]phényl}-1-(2-pyridinyl)-1H-1,2,4-triazole-3,5-diamine [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 647.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.4±3.0 kJ/mol
Flash Point: 345.2±34.3 °C
Index of Refraction: 1.714
Molar Refractivity: 119.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.26
ACD/LogD (pH 5.5): 0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.79
ACD/LogD (pH 7.4): 1.96
ACD/BCF (pH 7.4): 12.78
ACD/KOC (pH 7.4): 142.29
Polar Surface Area: 94 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 59.1±7.0 dyne/cm
Molar Volume: 303.7±7.0 cm3

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