| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:47:04 UTC |
|---|
| Update Date | 2025-03-25 00:49:04 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02171738 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H8ClN3 |
|---|
| Molecular Mass | 181.0407 |
|---|
| SMILES | CCc1nc(C#N)c(Cl)nc1C |
|---|
| InChI Key | XNLQAQYLXYAYNH-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | diazines |
|---|
| Subclass | pyrazines |
|---|
| Direct Parent | pyrazines |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | aryl chloridesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesnitrilesorganochloridesorganonitrogen compoundsorganopnictogen compounds |
|---|
| Substituents | aryl chloridenitrilearomatic heteromonocyclic compoundazacycleorganochlorideheteroaromatic compoundorganohalogen compoundaryl halidepyrazineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrile |
|---|
