Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:26:31 UTC
Update Date2025-03-21 18:39:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00125891
Frequency35.7
Structure
Chemical FormulaC4H5N3O
Molecular Mass111.0433
SMILESNc1ccc(=O)[nH]n1
InChI KeyMMZLICVOTDAZOX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazines
Subclass pyridazines and derivatives
Direct Parent pyridazinones
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • lactams
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • primary amines
  • Substituents
  • lactam
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • pyridazinone
  • primary amine
  • organic nitrogen compound
  • imidolactam
  • amine
  • organooxygen compound