EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C15H16BrN3O |
| Net Charge | 0 |
| Average Mass | 334.217 |
| Monoisotopic Mass | 333.04767 |
| SMILES | O=c1c(Br)c(N2CCCCC2)cnn1-c1ccccc1 |
| InChI | InChI=1S/C15H16BrN3O/c16-14-13(18-9-5-2-6-10-18)11-17-19(15(14)20)12-7-3-1-4-8-12/h1,3-4,7-8,11H,2,5-6,9-10H2 |
| InChIKey | PFFQYDKLRPGBSH-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) |
| 4-bromo-2-phenyl-5-(1-piperidinyl)-3-pyridazinone (CHEBI:122167) is a dialkylarylamine (CHEBI:23665) |
| 4-bromo-2-phenyl-5-(1-piperidinyl)-3-pyridazinone (CHEBI:122167) is a tertiary amino compound (CHEBI:50996) |
| Manual Xrefs | Databases |
|---|---|
| LSM-33610 | LINCS |