| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:48:59 UTC |
|---|
| Update Date | 2025-03-25 00:49:43 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02176190 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H11N3 |
|---|
| Molecular Mass | 161.0953 |
|---|
| SMILES | Nc1cccc(C2=NCCN2)c1 |
|---|
| InChI Key | HCJAVYDERMMIDO-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzene and substituted derivatives |
|---|
| Direct Parent | benzene and substituted derivatives |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | amidinesazacyclic compoundscarboximidamideshydrocarbon derivativesimidazolinesimidolactamsorganopnictogen compoundsprimary aminespropargyl-type 1,3-dipolar organic compounds |
|---|
| Substituents | monocyclic benzene moietyaromatic heteromonocyclic compoundazacycleorganic 1,3-dipolar compoundamidinecarboximidamidepropargyl-type 1,3-dipolar organic compound2-imidazolineimidazolineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundimidolactamamineorganoheterocyclic compound |
|---|
