| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 12:02:13 UTC |
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| Update Date | 2025-03-24 21:27:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01782422 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C7H11N3 |
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| Molecular Mass | 137.0953 |
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| SMILES | c1nc2c([nH]1)CCCCN2 |
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| InChI Key | XIKVJZOLNXTOFN-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 | azepines |
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| Subclass | azepines |
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| Direct Parent | azepines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsorganopnictogen compoundssecondary alkylarylamines |
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| Substituents | azacycleheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic amineazepinearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundimidolactamamineazole |
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