| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:43:29 UTC |
|---|
| Update Date | 2025-03-25 00:47:42 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02163530 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H12N2O |
|---|
| Molecular Mass | 164.095 |
|---|
| SMILES | CC1(c2ccc(O)nc2)CNC1 |
|---|
| InChI Key | QAFQPCYPWVTZMB-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyridines and derivatives |
|---|
| Subclass | halopyridines |
|---|
| Direct Parent | polyhalopyridines |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 2-halopyridinesazacyclic compoundsazetidinesdialkylaminesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesorganooxygen compoundsorganopnictogen compounds |
|---|
| Substituents | secondary aliphatic aminearomatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridinemethylpyridinesecondary amineazetidineorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundorganooxygen compoundamine |
|---|
