Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:04:05 UTC
Update Date2025-03-25 00:55:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02210723
Frequency0.5
Structure
Chemical FormulaC13H17N3O
Molecular Mass231.1372
SMILESCC(=O)C1CC(c2cccnc2)N(C)C(C)=N1
InChI KeyVEWLGPOQJGRZSP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass methylpyridines
Direct Parent methylpyridines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • amidines
  • azacyclic compounds
  • carboximidamides
  • gamma-amino ketones
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydropyrimidines
  • imidolactams
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • Substituents
  • 1,4,5,6-tetrahydropyrimidine
  • carbonyl group
  • gamma-aminoketone
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • methylpyridine
  • organic 1,3-dipolar compound
  • amidine
  • carboximidamide
  • propargyl-type 1,3-dipolar organic compound
  • ketone
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • hydropyrimidine
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • imidolactam
  • organooxygen compound