Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 07:13:40 UTC
Update Date2025-03-24 19:57:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01090328
Frequency1.3
Structure
Chemical FormulaC5H9N3O
Molecular Mass127.0746
SMILESCNc1cn(C)c(=O)[nH]1
InChI KeyDXPMSNQXLRLFJN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass amines
Direct Parent secondary alkylarylamines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • n-substituted imidazoles
  • organic carbonic acids and derivatives
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • Substituents
  • carbonic acid derivative
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • secondary aliphatic/aromatic amine
  • organic oxide
  • organic oxygen compound
  • imidazole
  • organopnictogen compound
  • hydrocarbon derivative
  • organoheterocyclic compound
  • organooxygen compound
  • azole
  • n-substituted imidazole