| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:09:57 UTC |
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| Update Date | 2025-03-21 18:31:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00086003 |
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| Frequency | 33.2 |
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| Structure | |
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| Chemical Formula | C6H8N4O2 |
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| Molecular Mass | 168.0647 |
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| SMILES | Cc1ncc(C[N+](=O)[O-])c(N)n1 |
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| InChI Key | KFQCAOHFQVALCX-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 | diazines |
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| Subclass | pyrimidines and pyrimidine derivatives |
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| Direct Parent | pyrimidines and pyrimidine derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsc-nitro compoundsheteroaromatic compoundshydrocarbon derivativesimidolactamsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganopnictogen compoundsprimary aminespropargyl-type 1,3-dipolar organic compounds |
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| Substituents | aromatic heteromonocyclic compoundazacycleheteroaromatic compoundallyl-type 1,3-dipolar organic compoundorganic 1,3-dipolar compoundorganic nitro compoundpyrimidinepropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundc-nitro compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundorganic oxoazaniumimidolactamamineorganic hyponitrite |
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