ChemSpider 2D Image | 1-[2-(3-Cyano-2-pyridinyl)-1,2,3,4-tetrahydro-5-isoquinolinyl]-5-methyl-1H-1,2,3-triazole-4-carboxylic acid | C19H16N6O2

1-[2-(3-Cyano-2-pyridinyl)-1,2,3,4-tetrahydro-5-isoquinolinyl]-5-methyl-1H-1,2,3-triazole-4-carboxylic acid

  • Molecular FormulaC19H16N6O2
  • Average mass360.369 Da
  • Monoisotopic mass360.133484 Da
  • ChemSpider ID28543770

More details:

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

1-[2-(3-Cyan-2-pyridinyl)-1,2,3,4-tetrahydro-5-isochinolinyl]-5-methyl-1H-1,2,3-triazol-4-carbonsäure [German] [ACD/IUPAC Name]
1-[2-(3-Cyano-2-pyridinyl)-1,2,3,4-tetrahydro-5-isoquinolinyl]-5-methyl-1H-1,2,3-triazole-4-carboxylic acid [ACD/IUPAC Name]
1H-1,2,3-Triazole-4-carboxylic acid, 1-[2-(3-cyano-2-pyridinyl)-1,2,3,4-tetrahydro-5-isoquinolinyl]-5-methyl- [ACD/Index Name]
Acide 1-[2-(3-cyano-2-pyridinyl)-1,2,3,4-tétrahydro-5-isoquinoléinyl]-5-méthyl-1H-1,2,3-triazole-4-carboxylique [French] [ACD/IUPAC Name]
1-[2-(3-cyanopyridin-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-yl]-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
1334148-43-4 [RN]
MFCD19686216

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

Density: 1.4±0.1 g/cm3
Boiling Point: 692.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.6±3.0 kJ/mol
Flash Point: 372.6±34.3 °C
Index of Refraction: 1.734
Molar Refractivity: 100.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.31
ACD/LogD (pH 5.5): 0.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.89
ACD/LogD (pH 7.4): -0.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 108 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 63.6±7.0 dyne/cm
Molar Volume: 250.5±7.0 cm3

Click to predict properties on the Chemicalize site


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