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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:18:38 UTC
Update Date2025-03-24 20:16:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01391675
Frequency0.9
Structure
Chemical FormulaC3H4N4O2
Molecular Mass128.0334
SMILESNc1ncc([N+](=O)[O-])[nH]1
InChI KeyJZDDPKVOGHKWJI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazoles
Subclass imidazoles
Direct Parent nitroimidazoles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • nitroaromatic compounds
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organopnictogen compounds
  • primary amines
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • nitroaromatic compound
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • allyl-type 1,3-dipolar organic compound
  • organic 1,3-dipolar compound
  • organic nitro compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • nitroimidazole
  • c-nitro compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • organic oxoazanium
  • amine
  • organic hyponitrite