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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:22:15 UTC
Update Date2025-03-25 01:01:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02252270
Frequency0.5
Structure
Chemical FormulaC12H10N4O
Molecular Mass226.0855
SMILESNc1c(-c2ccccc2)[nH]c2[nH]c(=O)cnc12
InChI KeyAHMVFWHQKVKXAX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolopyrazines
Subclass pyrrolopyrazines
Direct Parent pyrrolopyrazines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzene and substituted derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • primary amines
  • pyrazines
  • pyrroles
    • Substituents
  • monocyclic benzene moiety
  • lactam
  • azacycle
  • heteroaromatic compound
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyrazine
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • organic nitrogen compound
  • amine
  • pyrrolopyrazine
  • organooxygen compound