N-ethyl-2H-triazole-4-carboxamide

N-ethyl-2H-triazole-4-carboxamide bmse011417 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C5H8N4O

Natural Isotopic Abundance Mass: 140.1432199999999

Mono-Isotopic Molecular Masses:

  • C12N14: 140.069810896
  • C13N14: 145.086585086
  • C12N15: 144.05795046800003
  • C13N15: 149.07472465800004

InChI string: InChI=1S/C5H8N4O/c1-2-6-5(10)4-3-7-9-8-4/h3H,2H2,1H3,(H,6,10)(H,7,8,9)

wwPDB CCD: K0J

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)