Molecule ID: mol6996
SMILES: Cc1nc(N)nc(C)c1-c1ccc(N)cc1
InChI: InChI=1S/C12H14N4/c1-7-11(8(2)16-12(14)15-7)9-3-5-10(13)6-4-9/h3-6H,13H2,1-2H3,(H2,14,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.71 | IUPAC digitized pKa | 2 » 1 |
| 5.12 | IUPAC digitized pKa | 1 » 0 |