| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 04:01:24 UTC |
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| Update Date | 2025-03-21 23:05:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00630562 |
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| Frequency | 2.5 |
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| Structure | |
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| Chemical Formula | C3H4N4O2 |
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| Molecular Mass | 128.0334 |
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| SMILES | Nc1nc[nH]c1[N+](=O)[O-] |
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| InChI Key | DPBQZIHMIPYKHX-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | azoles |
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| Subclass | imidazoles |
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| Direct Parent | nitroimidazoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsnitroaromatic compoundsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganopnictogen compoundsprimary aminespropargyl-type 1,3-dipolar organic compounds |
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| Substituents | aromatic heteromonocyclic compoundallyl-type 1,3-dipolar organic compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidenitroimidazolec-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumimidolactamnitroaromatic compoundazacycleheteroaromatic compoundorganic 1,3-dipolar compoundorganic oxygen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganic hyponitrite |
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