ChemSpider 2D Image | 1-(2-{Methyl[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]amino}-4-pyrimidinyl)-4-piperidinol | C14H21N7O

1-(2-{Methyl[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]amino}-4-pyrimidinyl)-4-piperidinol

  • Molecular FormulaC14H21N7O
  • Average mass303.363 Da
  • Monoisotopic mass303.180756 Da
  • ChemSpider ID29560477

More details:

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

1-(2-{Methyl[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]amino}-4-pyrimidinyl)-4-piperidinol [German] [ACD/IUPAC Name]
1-(2-{Methyl[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]amino}-4-pyrimidinyl)-4-piperidinol [ACD/IUPAC Name]
1-(2-{Méthyl[(4-méthyl-4H-1,2,4-triazol-3-yl)méthyl]amino}-4-pyrimidinyl)-4-pipéridinol [French] [ACD/IUPAC Name]
4-Piperidinol, 1-[2-[methyl[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]amino]-4-pyrimidinyl]- [ACD/Index Name]
1-(2-{methyl[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]amino}pyrimidin-4-yl)piperidin-4-ol

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

Density: 1.4±0.1 g/cm3
Boiling Point: 565.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.4±3.0 kJ/mol
Flash Point: 295.8±32.9 °C
Index of Refraction: 1.692
Molar Refractivity: 84.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.39
ACD/LogD (pH 5.5): -1.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.91
Polar Surface Area: 83 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 57.1±7.0 dyne/cm
Molar Volume: 219.2±7.0 cm3

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