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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:24 UTC
Update Date2025-03-25 00:47:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02161057
Frequency0.5
Structure
Chemical FormulaC12H17N5
Molecular Mass231.1484
SMILESNCC(N)=NC(N)Cc1c[nH]c2ccccc12
InChI KeyDVNLCYGVZDLHCP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • amidines
  • azacyclic compounds
  • benzenoids
  • carboximidamides
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monoalkylamines
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • pyrroles
    • Substituents
  • azacycle
  • indole
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • amidine
  • carboximidamide
  • propargyl-type 1,3-dipolar organic compound
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • primary aliphatic amine
  • organic nitrogen compound