Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:25:51 UTC
Update Date2025-03-21 18:39:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00124297
Frequency20.7
Structure
Chemical FormulaC8H13N3
Molecular Mass151.1109
SMILESCn1cc(C2CCCN2)cn1
InChI KeyVRQSNISBSWLYIN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazoles
Subclass pyrazoles
Direct Parent pyrazoles
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
  • pyrazole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • amine