bmse011754 NMR Quality Control Of Fragment Libraries For Screening at BMRB

1-methylindazole-3-carboxamide

1-methylindazole-3-carboxamide bmse011754 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Graphical representations:

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Molecular Formula: C9H9N3O

Natural Isotopic Abundance Mass: 175.18725999999992

Mono-Isotopic Molecular Masses:

C12N14: 175.074561923
C13N14: 184.10475546500004
C12N15: 178.06566660200002
C13N15: 187.09586014400006

InChI string: InChI=1S/C9H9N3O/c1-12-7-5-3-2-4-6(7)8(11-12)9(10)13/h2-5H,1H3,(H2,10,13)

IUPAC: 1-methylindazole-3-carboxamide

wwPDB CCD: GWG

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)