| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:05 UTC |
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| Update Date | 2025-03-25 00:45:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02148963 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H13N3 |
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| Molecular Mass | 199.1109 |
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| SMILES | CN(C)CC#Cc1ccc2[nH]cnc2c1 |
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| InChI Key | MOOKTZSGERPPFQ-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 | benzimidazoles |
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| Subclass | benzimidazoles |
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| Direct Parent | benzimidazoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesimidazolesorganopnictogen compoundstrialkylamines |
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| Substituents | azacycleheteroaromatic compoundtertiary aliphatic aminearomatic heteropolycyclic compoundbenzimidazoleimidazoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundaminetertiary amineazole |
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