N-(4-methylphenyl)-1H-pyrazolo[4,3-e]pyrimidin-4-amine

N-(4-methylphenyl)-1H-pyrazolo[4,3-e]pyrimidin-4-amine bmse011290 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C12H11N5

Natural Isotopic Abundance Mass: 225.24923999999987

Mono-Isotopic Molecular Masses:

  • C12N14: 225.101445377
  • C13N14: 237.14170343300006
  • C12N15: 230.08661984200003
  • C13N15: 242.1268778980001

InChI string: InChI=1S/C12H11N5/c1-8-2-4-9(5-3-8)16-11-10-6-15-17-12(10)14-7-13-11/h2-7H,1H3,(H2,13,14,15,16,17)

wwPDB CCD: H0S

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)