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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:56:24 UTC
Update Date2025-03-25 01:14:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02330682
Frequency0.5
Structure
Chemical FormulaC6H12N4
Molecular Mass140.1062
SMILESCCn1cc(CCN)nn1
InChI KeyUXVISKUHAHDCFI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazoles
Subclass triazoles
Direct Parent triazoles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
    • Substituents
  • triazole
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • 1,2,3-triazole