Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:40:11 UTC
Update Date2025-03-21 17:58:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00015808
Frequency272.9
Structure
Chemical FormulaC8H11N3
Molecular Mass149.0953
SMILESc1ncc(C2CCCN2)cn1
InChI KeyIJQSRHRECQOAAX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazines
Subclass pyrimidines and pyrimidine derivatives
Direct Parent pyrimidines and pyrimidine derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • dialkylamines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organopnictogen compounds
  • pyrrolidines
  • Substituents
  • secondary aliphatic amine
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • secondary amine
  • pyrimidine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • amine