| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:01 UTC |
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| Update Date | 2025-03-25 01:00:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02244797 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H12N4O |
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| Molecular Mass | 168.1011 |
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| SMILES | CN(C)CC(=O)c1[nH]cnc1N |
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| InChI Key | ZBJULBHYLSOTTO-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | aryl alkyl ketones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha-amino ketonesazacyclic compoundscarbonylimidazolesheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsorganic oxidesorganopnictogen compoundsprimary aminestrialkylaminesvinylogous amides |
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| Substituents | aryl alkyl ketonearomatic heteromonocyclic compoundorganic oxidealpha-aminoketoneimidazoleorganonitrogen compoundorganopnictogen compoundimidazole-4-carbonyl groupimidolactamtertiary amineorganoheterocyclic compoundazolevinylogous amideazacycleheteroaromatic compoundtertiary aliphatic aminehydrocarbon derivativeprimary amineorganic nitrogen compoundamine |
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