N-[(1-methyltriazol-4-yl)methyl]ethanamine

N-[(1-methyltriazol-4-yl)methyl]ethanamine bmse011607 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C6H12N4

Natural Isotopic Abundance Mass: 140.18627999999987

Mono-Isotopic Molecular Masses:

  • C12N14: 140.106196404
  • C13N14: 146.12632543200002
  • C12N15: 144.09433597600002
  • C13N15: 150.11446500400004

InChI string: InChI=1S/C6H12N4/c1-3-7-4-6-5-10(2)9-8-6/h5,7H,3-4H2,1-2H3

wwPDB CCD: K3S

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)