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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 12:18:15 UTC
Update Date2025-03-24 21:34:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01821280
Frequency0.7
Structure
Chemical FormulaC5H10N4
Molecular Mass126.0905
SMILESCN1CCC(N)=NC1=N
InChI KeyYRKDODCPPNAPGN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazines
Subclass pyrimidines and pyrimidine derivatives
Direct Parent hydropyrimidines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • amidines
  • azacyclic compounds
  • carboximidamides
  • hydrocarbon derivatives
  • imidolactams
  • imines
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • azacycle
  • imine
  • organic 1,3-dipolar compound
  • amidine
  • carboximidamide
  • propargyl-type 1,3-dipolar organic compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • hydropyrimidine
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • imidolactam
  • 1,2,5,6-tetrahydropyrimidine