ChemSpider 2D Image | 1-[2-(4-Amino-2-pyrimidinyl)-1,2,3,4-tetrahydro-5-isoquinolinyl]-5-methyl-N-(4-methylcyclohexyl)-1H-1,2,3-triazole-4-carboxamide | C24H30N8O

1-[2-(4-Amino-2-pyrimidinyl)-1,2,3,4-tetrahydro-5-isoquinolinyl]-5-methyl-N-(4-methylcyclohexyl)-1H-1,2,3-triazole-4-carboxamide

  • Molecular FormulaC24H30N8O
  • Average mass446.548 Da
  • Monoisotopic mass446.254272 Da
  • ChemSpider ID30372075

More details:

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

1-[2-(4-Amino-2-pyrimidinyl)-1,2,3,4-tetrahydro-5-isochinolinyl]-5-methyl-N-(4-methylcyclohexyl)-1H-1,2,3-triazol-4-carboxamid [German] [ACD/IUPAC Name]
1-[2-(4-Amino-2-pyrimidinyl)-1,2,3,4-tétrahydro-5-isoquinoléinyl]-5-méthyl-N-(4-méthylcyclohexyl)-1H-1,2,3-triazole-4-carboxamide [French] [ACD/IUPAC Name]
1-[2-(4-Amino-2-pyrimidinyl)-1,2,3,4-tetrahydro-5-isoquinolinyl]-5-methyl-N-(4-methylcyclohexyl)-1H-1,2,3-triazole-4-carboxamide [ACD/IUPAC Name]
1H-1,2,3-Triazole-4-carboxamide, 1-[2-(4-amino-2-pyrimidinyl)-1,2,3,4-tetrahydro-5-isoquinolinyl]-5-methyl-N-(4-methylcyclohexyl)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.737
Molar Refractivity: 126.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.67
ACD/LogD (pH 5.5): -0.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.15
ACD/LogD (pH 7.4): -0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.15
Polar Surface Area: 111 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 59.9±7.0 dyne/cm
Molar Volume: 313.4±7.0 cm3

Click to predict properties on the Chemicalize site


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