Molecule ID: mol7049
SMILES: Cc1nc(N)nc(C)c1-c1ccc(N(C)C)cc1
InChI: InChI=1S/C14H18N4/c1-9-13(10(2)17-14(15)16-9)11-5-7-12(8-6-11)18(3)4/h5-8H,1-4H3,(H2,15,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.86 | IUPAC digitized pKa | 2 » 1 |
| 5.31 | IUPAC digitized pKa | 1 » 0 |