| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:14:35 UTC |
|---|
| Update Date | 2025-03-21 18:33:41 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00097045 |
|---|
| Frequency | 28.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H5N3 |
|---|
| Molecular Mass | 119.0483 |
|---|
| SMILES | N#Cc1ccc(N)nc1 |
|---|
| InChI Key | KDVBYUUGYXUXNL-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyridines and derivatives |
|---|
| Subclass | 3-pyridinecarbonitriles |
|---|
| Direct Parent | 3-pyridinecarbonitriles |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 2-halopyridinesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidolactamsnitrilesorganopnictogen compoundspolyhalopyridinesprimary amines |
|---|
| Substituents | nitrilearomatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compound3-pyridinecarbonitrileorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amine2-halopyridineorganic nitrogen compoundimidolactamaminecarbonitrile |
|---|
