Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:10:15 UTC
Update Date2025-03-25 00:57:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02224982
Frequency0.5
Structure
Chemical FormulaC8H12N6O
Molecular Mass208.1073
SMILESNc1nc2c(c(=O)[nH]1)N1CCN(CN2)C1
InChI KeyCCKUGEHNFCGQGX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass amines
Direct Parent dialkylarylamines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazolidines
  • imidolactams
  • lactams
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • primary amines
  • pyrimidones
  • secondary alkylarylamines
  • vinylogous amides
  • Substituents
  • imidazolidine
  • vinylogous amide
  • lactam
  • azacycle
  • heteroaromatic compound
  • pyrimidone
  • secondary amine
  • secondary aliphatic/aromatic amine
  • pyrimidine
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • dialkylarylamine
  • imidolactam
  • organoheterocyclic compound
  • organooxygen compound