| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:08:50 UTC |
|---|
| Update Date | 2025-03-25 00:56:58 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02221789 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H13N3O |
|---|
| Molecular Mass | 179.1059 |
|---|
| SMILES | OC(c1ccncn1)C1CCCN1 |
|---|
| InChI Key | MQYNIDSGMCISDP-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | diazines |
|---|
| Subclass | pyrimidines and pyrimidine derivatives |
|---|
| Direct Parent | pyrimidines and pyrimidine derivatives |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | aromatic alcoholsazacyclic compoundsdialkylaminesheteroaromatic compoundshydrocarbon derivativesorganopnictogen compoundspyrrolidinessecondary alcohols |
|---|
| Substituents | aromatic alcoholalcoholsecondary aliphatic aminearomatic heteromonocyclic compoundazacycleheteroaromatic compoundsecondary aminepyrimidineorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundpyrrolidineorganooxygen compoundamine |
|---|
