| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 09:18:02 UTC |
|---|
| Update Date | 2025-03-24 20:15:39 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID01390244 |
|---|
| Frequency | 0.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C4H5N3O2 |
|---|
| Molecular Mass | 127.0382 |
|---|
| SMILES | O=CNc1cc(=O)[nH][nH]1 |
|---|
| InChI Key | JPXFDNQYZQFSII-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic nitrogen compounds |
|---|
| Class | organonitrogen compounds |
|---|
| Subclass | n-arylamides |
|---|
| Direct Parent | n-arylamides |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganopnictogen compoundspyrazolespyrazolonessecondary carboxylic acid amidesvinylogous amides |
|---|
| Substituents | vinylogous amidecarbonyl grouplactamaromatic heteromonocyclic compoundazacycleheteroaromatic compoundn-arylamidecarboxamide groupcarboxylic acid derivativepyrazolesecondary carboxylic acid amideorganic oxideorganic oxygen compoundorganopnictogen compoundhydrocarbon derivativeorganoheterocyclic compoundorganooxygen compoundazolepyrazolinone |
|---|
