Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:16:40 UTC
Update Date2025-03-21 22:14:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00524515
Frequency3.2
Structure
Chemical FormulaC7H11N3
Molecular Mass137.0953
SMILESCNc1nc(C)ncc1C
InChI KeyXBQHHKVUQMLHJZ-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
  • imidolactams
  • organopnictogen compounds
  • pyrimidines and pyrimidine derivatives
  • Substituents
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • secondary aliphatic/aromatic amine
  • pyrimidine
  • organopnictogen compound
  • hydrocarbon derivative
  • imidolactam
  • organoheterocyclic compound