BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules 		Member of WWPDB

2H-triazol-4-ylmethanol

2H-triazol-4-ylmethanol bmse012615 - Data

2H-triazol-4-ylmethanol synonyms

Wikipedia:

Graphical representations:

2H-triazol-4-ylmethanol

View large 3D structure

Molecular Formula: C3H5N3O

Natural Isotopic Abundance Mass: 99.0913

Mono-Isotopic Molecular Masses:

  • C12N14: 99.043261795
  • C13N14: 102.053326309
  • C12N15: 102.034366474
  • C13N15: 105.04443098800002

InChI string: InChI=1S/C3H5N3O/c7-2-3-1-4-6-5-3/h1,7H,2H2,(H,4,5,6)

BMRB Ligand Expo: TA5
EU-OPENSCREEN: EOS103442

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)