Molecule ID: mol7601
SMILES: Cc1nnc(N)nc1C
InChI: InChI=1S/C5H8N4/c1-3-4(2)8-9-5(6)7-3/h1-2H3,(H2,6,7,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.70 | IUPAC digitized pKa | 1 » 0 |
| 3.71 | Datawarrior | 1 » 0 |
| 3.71 | OCHEM | 1 » 0 |
| 3.94 | AttenGpKa training set | 1 » 0 |