| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:50 UTC |
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| Update Date | 2025-03-25 00:57:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224100 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H13N3O |
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| Molecular Mass | 179.1059 |
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| SMILES | O=C(Cn1ccnc1)C1CCCN1 |
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| InChI Key | FXUXEDSYPBLHGL-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 | n-substituted imidazoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsdialkylaminesheteroaromatic compoundshydrocarbon derivativesimidazolesketonesorganic oxidesorganopnictogen compoundspyrrolidines |
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| Substituents | secondary aliphatic aminecarbonyl grouparomatic heteromonocyclic compoundazacycleheteroaromatic compoundsecondary amineketoneorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundpyrrolidineorganooxygen compoundaminen-substituted imidazole |
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