2-cyclohexyl-N-(1,2,4-triazol-4-yl)acetamide

2-cyclohexyl-N-(1,2,4-triazol-4-yl)acetamide bmse011306 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C10H16N4O

Natural Isotopic Abundance Mass: 208.26023999999984

Mono-Isotopic Molecular Masses:

  • C12N14: 208.132411152
  • C13N14: 218.16595953200004
  • C12N15: 212.12055072400003
  • C13N15: 222.15409910400007

InChI string: InChI=1S/C10H16N4O/c15-10(13-14-7-11-12-8-14)6-9-4-2-1-3-5-9/h7-9H,1-6H2,(H,13,15)

wwPDB CCD: O2D

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)