2-cyclopropyl-1H-imidazole-5-carboxamide

2-cyclopropyl-1H-imidazole-5-carboxamide bmse011117 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C7H9N3O

Natural Isotopic Abundance Mass: 151.1658599999999

Mono-Isotopic Molecular Masses:

  • C12N14: 151.074561923
  • C13N14: 158.09804578900003
  • C12N15: 154.06566660200002
  • C13N15: 161.08915046800004

InChI string: InChI=1S/C7H9N3O/c8-6(11)5-3-9-7(10-5)4-1-2-4/h3-4H,1-2H2,(H2,8,11)(H,9,10)

wwPDB CCD: GWP

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)