| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:00:40 UTC |
|---|
| Update Date | 2025-03-25 00:53:54 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02202754 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H11N3O2 |
|---|
| Molecular Mass | 181.0851 |
|---|
| SMILES | O=C(O)Cc1cnc2n1CCCN2 |
|---|
| InChI Key | RRZORXQTGYKFRH-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic nitrogen compounds |
|---|
| Class | organonitrogen compounds |
|---|
| Subclass | amines |
|---|
| Direct Parent | secondary alkylarylamines |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesn-substituted imidazolesorganic oxidesorganopnictogen compounds |
|---|
| Substituents | carbonyl groupcarboxylic acidazacycleamino acid or derivativesamino acidheteroaromatic compoundcarboxylic acid derivativesecondary aliphatic/aromatic amineorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundimidazoleorganopnictogen compoundhydrocarbon derivativeorganoheterocyclic compoundorganooxygen compoundazolen-substituted imidazole |
|---|
