| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:53:06 UTC |
|---|
| Update Date | 2025-03-21 18:03:42 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00046009 |
|---|
| Frequency | 73.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H14N2O |
|---|
| Molecular Mass | 166.1106 |
|---|
| SMILES | CCc1cnc(C)c(O)c1CN |
|---|
| InChI Key | VAWFGMPTYXSTPO-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 compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonoalkylaminesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
|---|
| Substituents | aromatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridinemethylpyridineorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amine2-halopyridineorganic nitrogen compoundorganooxygen compound |
|---|
