ChemSpider 2D Image | N-[(2S)-2-Butanyl]-8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine | C18H24N6O

N-[(2S)-2-Butanyl]-8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine

  • Molecular FormulaC18H24N6O
  • Average mass340.423 Da
  • Monoisotopic mass340.201172 Da
  • ChemSpider ID24697462

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

N-[(2S)-2-Butanyl]-8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amin [German] [ACD/IUPAC Name]
N-[(2S)-2-Butanyl]-8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine [ACD/IUPAC Name]
N-[(2S)-2-Butanyl]-8-(6-méthoxy-2-méthyl-3-pyridinyl)-2,7-diméthylpyrazolo[1,5-a][1,3,5]triazin-4-amine [French] [ACD/IUPAC Name]
Pyrazolo[1,5-a]-1,3,5-triazin-4-amine, 8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-N-[(1S)-1-methylpropyl]- [ACD/Index Name]
((S)-sec-Butyl)-[8-(6-methoxy-2-methyl-pyridin-3-yl)-2,7-dimethyl-pyrazolo[1,5-a][1,3,5]triazin-4-yl]-amine
1149605-19-5 [RN]
459856-18-9 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL474288/
N-((S)-sec-butyl)-8-(6-methoxy-2-methylpyridin-3-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
Pexacerfont [INN] [USAN] [Wiki]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.634
Molar Refractivity: 97.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.94
ACD/LogD (pH 5.5): 2.57
ACD/BCF (pH 5.5): 52.80
ACD/KOC (pH 5.5): 595.10
ACD/LogD (pH 7.4): 2.57
ACD/BCF (pH 7.4): 52.83
ACD/KOC (pH 7.4): 595.50
Polar Surface Area: 77 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 41.6±7.0 dyne/cm
Molar Volume: 272.4±7.0 cm3

Click to predict properties on the Chemicalize site


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