ChemSpider 2D Image | N-[2-(3-Methyl-1H-1,2,4-triazol-5-yl)phenyl]-1H-pyrrolo[2,3-d]pyrimidin-4-amine | C15H13N7

N-[2-(3-Methyl-1H-1,2,4-triazol-5-yl)phenyl]-1H-pyrrolo[2,3-d]pyrimidin-4-amine

  • Molecular FormulaC15H13N7
  • Average mass291.311 Da
  • Monoisotopic mass291.123230 Da
  • ChemSpider ID22376890

More details:

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

7H-Pyrrolo[2,3-d]pyrimidin-4-amine, N-[2-(5-methyl-4H-1,2,4-triazol-3-yl)phenyl]- [ACD/Index Name]
N-[2-(3-Methyl-1H-1,2,4-triazol-5-yl)phenyl]-1H-pyrrolo[2,3-d]pyrimidin-4-amin [German] [ACD/IUPAC Name]
N-[2-(3-Methyl-1H-1,2,4-triazol-5-yl)phenyl]-1H-pyrrolo[2,3-d]pyrimidin-4-amine [ACD/IUPAC Name]
N-[2-(3-Méthyl-1H-1,2,4-triazol-5-yl)phényl]-1H-pyrrolo[2,3-d]pyrimidin-4-amine [French] [ACD/IUPAC Name]
CQU
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL428963/
N-(2-(5-methyl-4H-1,2,4-triazol-3-yl)phenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
pyrrolopyrimidine, 5d

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

Density: 1.5±0.1 g/cm3
Boiling Point: 621.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.0±3.0 kJ/mol
Flash Point: 329.4±34.3 °C
Index of Refraction: 1.779
Molar Refractivity: 84.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.00
ACD/LogD (pH 5.5): 1.33
ACD/BCF (pH 5.5): 4.94
ACD/KOC (pH 5.5): 86.21
ACD/LogD (pH 7.4): 1.68
ACD/BCF (pH 7.4): 11.11
ACD/KOC (pH 7.4): 193.88
Polar Surface Area: 95 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 86.1±3.0 dyne/cm
Molar Volume: 200.7±3.0 cm3

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