Biological Magnetic Resonance Data Bank

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


Graphical representations:


View large 3D structure

Molecular Formula: C5H7N3O

Natural Isotopic Abundance Mass: 125.12858

Mono-Isotopic Molecular Masses:

  • C12N14: 125.0589118624
  • C13N14: 130.0756860514
  • C12N15: 128.050016542
  • C13N15: 133.066790731

InChI string: InChI=1S/C5H7N3O/c1-3-2-7-5(9)8-4(3)6/h2H,1H3,(H3,6,7,8,9)

PubChem Compound (CID): 65040
CAS Registry number: 554-01-8
ChEBI: CHEBI:27551
ChemSpider: 13842349
KEGG Compound ID: C02376
BioCyc: CPD0-2018
ZINC: ZINC00394712
DTP/NCI: 137776
NIST Chemistry WebBook: 689790553

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,