N-[(4-dimethylaminophenyl)methyl]-1,2,4-triazol-4-amine

N-[(4-dimethylaminophenyl)methyl]-1,2,4-triazol-4-amine bmse011733 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C11H15N5

Natural Isotopic Abundance Mass: 217.27029999999985

Mono-Isotopic Molecular Masses:

  • C12N14: 217.132745505
  • C13N14: 228.16964872300005
  • C12N15: 222.11791997000003
  • C13N15: 233.15482318800008

InChI string: InChI=1S/C11H15N5/c1-15(2)11-5-3-10(4-6-11)7-14-16-8-12-13-9-16/h3-6,8-9,14H,7H2,1-2H3

IUPAC: N-[(4-dimethylaminophenyl)methyl]-1,2,4-triazol-4-amine

wwPDB CCD: NVD

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)