Molecule ID: mol4944
SMILES: CNc1nc(C)nc2c1cnn2C
InChI: InChI=1S/C8H11N5/c1-5-11-7(9-2)6-4-10-13(3)8(6)12-5/h4H,1-3H3,(H,9,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.96 | IUPAC digitized pKa | 1 » 0 |
| 5.00 | Datawarrior | 1 » 0 |
| 5.00 | OCHEM | 1 » 0 |
| 5.00 | QSARToolbox | 1 » 0 |