Molecule ID: mol4920
SMILES: c1ncc2cn[nH]c2n1
InChI: InChI=1S/C5H4N4/c1-4-2-8-9-5(4)7-3-6-1/h1-3H,(H,6,7,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.80 | IUPAC digitized pKa | 1 » 0 |
| 2.84 | OCHEM | 1 » 0 |
| 2.84 | QSARToolbox | 1 » 0 |
| 2.84 | Datawarrior | 1 » 0 |
| 9.54 | Datawarrior | 0 » -1 |
| 9.54 | OCHEM | 0 » -1 |
| 9.58 | IUPAC digitized pKa | 0 » -1 |