| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:53:00 UTC |
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| Update Date | 2025-03-21 18:03:40 UTC |
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| HMDB ID | HMDB0245804 |
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| Metabolite Identification |
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| DeepMet ID | DMID00045756 |
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| Name | Amitrole |
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| Frequency | 160.5 |
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| Structure | |
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| Chemical Formula | C2H4N4 |
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| Molecular Mass | 84.0436 |
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| SMILES | Nc1nc[nH]n1 |
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| InChI Key | KLSJWNVTNUYHDU-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 | triazoles |
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| Direct Parent | triazoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganopnictogen compoundsprimary amines |
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| Substituents | triazolearomatic heteromonocyclic compound1,2,4-triazoleazacycleheteroaromatic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamine |
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