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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:12:48 UTC
Update Date2025-03-25 00:58:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02230517
Frequency0.5
Structure
Chemical FormulaC11H15N3O2
Molecular Mass221.1164
SMILESCN1CCN(c2cccnc2C(=O)O)CC1
InChI KeyJCJBLRVNEBJBDT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazinanes
Subclass piperazines
Direct Parent pyridinylpiperazines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-halopyridines
  • amino acids
  • aminopyridines and derivatives
  • azacyclic compounds
  • carboxylic acids
  • dialkylarylamines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • methylpyridines
  • monocarboxylic acids and derivatives
  • n-arylpiperazines
  • n-methylpiperazines
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • polyhalopyridines
  • pyridine-2-carboxylic acids
  • trialkylamines
  • vinylogous amides
    • Substituents
  • pyridine carboxylic acid or derivatives
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • amino acid
  • polyhalopyridine
  • carboxylic acid derivative
  • organic oxide
  • pyridine-2-carboxylic acid
  • tertiary aliphatic/aromatic amine
  • pyridinylpiperazine
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • dialkylarylamine
  • aminopyridine
  • tertiary amine
  • vinylogous amide
  • azacycle
  • n-alkylpiperazine
  • heteroaromatic compound
  • tertiary aliphatic amine
  • hydroxypyridine
  • n-methylpiperazine
  • methylpyridine
  • monocarboxylic acid or derivatives
  • pyridine
  • organic oxygen compound
  • pyridine carboxylic acid
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • n-arylpiperazine
  • organooxygen compound