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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 12:42:47 UTC
Update Date2025-03-24 21:45:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01878831
Frequency0.6
Structure
Chemical FormulaC8H10N2
Molecular Mass134.0844
SMILESc1ccn(C2=NCCC2)c1
InChI KeySIOINITXNIMRHU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrroles
Subclass substituted pyrroles
Direct Parent substituted pyrroles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • pyrrolines
    • Substituents
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • substituted pyrrole
  • propargyl-type 1,3-dipolar organic compound
  • pyrroline
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • imidolactam