ChemSpider 2D Image | 2-{(1S)-1-[(6-Amino-5-cyano-4-pyrimidinyl)amino]ethyl}-4-oxo-3-phenyl-3,4-dihydropyrrolo[2,1-f][1,2,4]triazine-5-carbonitrile | C20H15N9O

2-{(1S)-1-[(6-Amino-5-cyano-4-pyrimidinyl)amino]ethyl}-4-oxo-3-phenyl-3,4-dihydropyrrolo[2,1-f][1,2,4]triazine-5-carbonitrile

  • Molecular FormulaC20H15N9O
  • Average mass397.393 Da
  • Monoisotopic mass397.139954 Da
  • ChemSpider ID58828603

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-{(1S)-1-[(6-Amino-5-cyan-4-pyrimidinyl)amino]ethyl}-4-oxo-3-phenyl-3,4-dihydropyrrolo[2,1-f][1,2,4]triazin-5-carbonitril [German] [ACD/IUPAC Name]
2-{(1S)-1-[(6-Amino-5-cyano-4-pyrimidinyl)amino]ethyl}-4-oxo-3-phenyl-3,4-dihydropyrrolo[2,1-f][1,2,4]triazine-5-carbonitrile [ACD/IUPAC Name]
2-{(1S)-1-[(6-Amino-5-cyano-4-pyrimidinyl)amino]éthyl}-4-oxo-3-phényl-3,4-dihydropyrrolo[2,1-f][1,2,4]triazine-5-carbonitrile [French] [ACD/IUPAC Name]
Pyrrolo[2,1-f][1,2,4]triazine-5-carbonitrile, 2-[(1S)-1-[(6-amino-5-cyano-4-pyrimidinyl)amino]ethyl]-3,4-dihydro-4-oxo-3-phenyl- [ACD/Index Name]
(S)-2-(1-((6-AMINO-5-CYANOPYRIMIDIN-4-YL)AMINO)ETHYL)-4-OXO-3-PHENYL-3,4-DIHYDROPYRROLO[2,1-F][1,2,4]TRIAZINE-5-CARBONITRILE
1403947-26-1 [RN]
1403947-26-1 (free base)
2-[(1S)-1-[(6-amino-5-cyanopyrimidin-4-yl)amino]ethyl]-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazine-5-carbonitrile
LAS191954
LAS-191954
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 769.0±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.6 mmHg at 25°C
    Enthalpy of Vaporization: 112.0±3.0 kJ/mol
    Flash Point: 418.9±35.7 °C
    Index of Refraction: 1.769
    Molar Refractivity: 111.1±0.5 cm3
    #H bond acceptors: 10
    #H bond donors: 3
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 1.11
    ACD/LogD (pH 5.5): 1.27
    ACD/BCF (pH 5.5): 5.45
    ACD/KOC (pH 5.5): 117.09
    ACD/LogD (pH 7.4): 1.27
    ACD/BCF (pH 7.4): 5.46
    ACD/KOC (pH 7.4): 117.34
    Polar Surface Area: 149 Å2
    Polarizability: 44.0±0.5 10-24cm3
    Surface Tension: 70.2±7.0 dyne/cm
    Molar Volume: 267.5±7.0 cm3

    Click to predict properties on the Chemicalize site


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