Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 12:59:20 UTC
Update Date2025-03-24 21:52:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01917952
Frequency0.6
Structure
Chemical FormulaC4H4ClN3O
Molecular Mass145.0043
SMILESNc1nc(Cl)cnc1O
InChI KeyFHDYLAMSIRNDDL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazines
Subclass pyrazines
Direct Parent pyrazines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aryl chlorides
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • organochlorides
  • organooxygen compounds
  • organopnictogen compounds
  • primary amines
  • Substituents
  • aryl chloride
  • aromatic heteromonocyclic compound
  • azacycle
  • organochloride
  • heteroaromatic compound
  • organohalogen compound
  • aryl halide
  • organic oxygen compound
  • pyrazine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • imidolactam
  • amine
  • organooxygen compound