Molecule ID: mol4902
SMILES: CNc1nc(C)nc2nc[nH]c12
InChI: InChI=1S/C7H9N5/c1-4-11-6(8-2)5-7(12-4)10-3-9-5/h3H,1-2H3,(H2,8,9,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.04 | IUPAC digitized pKa | 1 » 0 |
| 5.08 | OCHEM | 1 » 0 |
| 5.08 | QSARToolbox | 1 » 0 |
| 5.08 | Datawarrior | 1 » 0 |