EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C8H13N3O |
| Net Charge | 0 |
| Average Mass | 167.212 |
| Monoisotopic Mass | 167.10586 |
| SMILES | O=c1cc(C2CCNCC2)nn1 |
| InChI | InChI=1S/C8H13N3O/c12-8-5-7(10-11-8)6-1-3-9-4-2-6/h5-6,9H,1-4H2,(H2,10,11,12) |
| InChIKey | ZEIPMWRDENQLAY-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-(4-piperidinyl)-1,2-dihydropyrazol-3-one (CHEBI:119879) is a aralkylamine (CHEBI:18000) |
| Manual Xrefs | Databases |
|---|---|
| LSM-31323 | LINCS |