Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:05:16 UTC
Update Date2025-03-24 14:11:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00783200
Frequency1.9
Structure
Chemical FormulaC4H4FN3
Molecular Mass113.0389
SMILESNc1ncncc1F
InChI KeyPKZMNMQCFNJXEH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazines
Subclass pyrimidines and pyrimidine derivatives
Direct Parent halopyrimidines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aryl fluorides
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • organofluorides
  • organopnictogen compounds
  • primary amines
  • Substituents
  • aryl fluoride
  • aromatic heteromonocyclic compound
  • azacycle
  • organofluoride
  • heteroaromatic compound
  • halopyrimidine
  • organohalogen compound
  • aryl halide
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • imidolactam
  • amine