EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C11H12N4O |
| Net Charge | 0 |
| Average Mass | 216.244 |
| Monoisotopic Mass | 216.10111 |
| SMILES | Cc1ccc(C)c(C(=O)n2cnnc2N)c1 |
| InChI | InChI=1S/C11H12N4O/c1-7-3-4-8(2)9(5-7)10(16)15-6-13-14-11(15)12/h3-6H,1-2H3,(H2,12,14) |
| InChIKey | YZMUEWQJIGOEBX-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (3-amino-1,2,4-triazol-4-yl)-(2,5-dimethylphenyl)methanone (CHEBI:120470) is a benzoic acids (CHEBI:22723) |
| Manual Xrefs | Databases |
|---|---|
| LSM-31913 | LINCS |