ChemSpider 2D Image | 4-{4-[4-Methyl-5-(1H-1,2,4-triazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-piperidinyl}-7H-pyrrolo[2,3-d]pyrimidine | C17H20N10

4-{4-[4-Methyl-5-(1H-1,2,4-triazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-piperidinyl}-7H-pyrrolo[2,3-d]pyrimidine

  • Molecular FormulaC17H20N10
  • Average mass364.408 Da
  • Monoisotopic mass364.187256 Da
  • ChemSpider ID29508562

More details:

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

4-{4-[4-Methyl-5-(1H-1,2,4-triazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-piperidinyl}-7H-pyrrolo[2,3-d]pyrimidin [German] [ACD/IUPAC Name]
4-{4-[4-Methyl-5-(1H-1,2,4-triazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-piperidinyl}-7H-pyrrolo[2,3-d]pyrimidine [ACD/IUPAC Name]
4-{4-[4-Méthyl-5-(1H-1,2,4-triazol-1-ylméthyl)-4H-1,2,4-triazol-3-yl]-1-pipéridinyl}-7H-pyrrolo[2,3-d]pyrimidine [French] [ACD/IUPAC Name]
7H-Pyrrolo[2,3-d]pyrimidine, 4-[4-[4-methyl-5-(1H-1,2,4-triazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-piperidinyl]- [ACD/Index Name]
4-{4-[4-methyl-5-(1H-1,2,4-triazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}-7H-pyrrolo[2,3-d]pyrimidine

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

Density: 1.6±0.1 g/cm3
Boiling Point: 714.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.4±3.0 kJ/mol
Flash Point: 385.7±35.7 °C
Index of Refraction: 1.842
Molar Refractivity: 101.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -0.45
ACD/LogD (pH 5.5): -0.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.69
ACD/LogD (pH 7.4): 0.46
ACD/BCF (pH 7.4): 1.28
ACD/KOC (pH 7.4): 39.85
Polar Surface Area: 106 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 74.4±7.0 dyne/cm
Molar Volume: 228.1±7.0 cm3

Click to predict properties on the Chemicalize site


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