2-tert-butyl-4H-1,2,4-triazol-3-one

2-tert-butyl-4H-1,2,4-triazol-3-one bmse012325 - Data

2-tert-butyl-4H-1,2,4-triazol-3-one synonyms

Wikipedia:

Graphical representations:

2-tert-butyl-4H-1,2,4-triazol-3-one

View large 3D structure

Molecular Formula: C6H11N3O

Natural Isotopic Abundance Mass: 141.17104

Mono-Isotopic Molecular Masses:

  • C12N14: 141.090211987
  • C13N14: 147.11034101500002
  • C12N15: 144.08131666600002
  • C13N15: 150.10144569400003

InChI string: InChI=1S/C6H11N3O/c1-6(2,3)9-5(10)7-4-8-9/h4H,1-3H3,(H,7,8,10)

EU-OPENSCREEN: EOS103070

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)