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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:13 UTC
Update Date2025-03-25 00:47:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02160655
Frequency0.5
Structure
Chemical FormulaC11H11N5O
Molecular Mass229.0964
SMILESNc1ncnc2ncc(C3CCC(=O)N3)cc12
InChI KeyMBDFPRAEBHJULL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass pyrrolidinylpyridines
Direct Parent pyrrolidinylpyridines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • amino acids and derivatives
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • lactams
  • organic oxides
  • organopnictogen compounds
  • polyhalopyridines
  • primary amines
  • pyrido[2,3-d]pyrimidines
  • pyrimidines and pyrimidine derivatives
  • pyrrolidine-2-ones
  • secondary carboxylic acid amides
    • Substituents
  • 2-pyrrolidone
  • carbonyl group
  • lactam
  • amino acid or derivatives
  • pyrrolidinylpyridine
  • polyhalopyridine
  • carboxylic acid derivative
  • pyrimidine
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • pyridopyrimidine
  • organopnictogen compound
  • 2-halopyridine
  • pyrrolidine
  • imidolactam
  • pyrrolidone
  • azacycle
  • heteroaromatic compound
  • carboxamide group
  • secondary carboxylic acid amide
  • organic oxygen compound
  • pyrido[2,3-d]pyrimidine
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound