Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:59:25 UTC
Update Date2025-03-25 00:53:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02199923
Frequency0.5
Structure
Chemical FormulaC4H5FN2
Molecular Mass100.0437
SMILESCn1cnc(F)c1
InChI KeyGDIUDGHNTMUWOM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganohalogen compounds
Classaryl halides
Subclass aryl fluorides
Direct Parent aryl fluorides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • n-substituted imidazoles
  • organofluorides
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • aryl fluoride
  • aromatic heteromonocyclic compound
  • azacycle
  • organofluoride
  • heteroaromatic compound
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organoheterocyclic compound
  • azole
  • n-substituted imidazole