Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:56:24 UTC
Update Date2025-03-24 20:57:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01624877
Frequency0.8
Structure
Chemical FormulaC4H9N5
Molecular Mass127.0858
SMILESNC1=NCC(N)C(N)=N1
InChI KeyUYRSCAOIALRNNQ-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
  • monoalkylamines
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • Substituents
  • azacycle
  • 5,6-dihydropyrimidine
  • organic 1,3-dipolar compound
  • amidine
  • carboximidamide
  • propargyl-type 1,3-dipolar organic compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • hydropyrimidine
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • imidolactam