Molecule ID: mol8112
SMILES: CN(C)c1nc(N(C)C)c2ncc(=O)[nH]c2n1
InChI: InChI=1S/C10H14N6O/c1-15(2)9-7-8(12-6(17)5-11-7)13-10(14-9)16(3)4/h5H,1-4H3,(H,12,13,14,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.78 | IUPAC digitized pKa | 1 » 0 |
| 9.37 | IUPAC digitized pKa | 0 » -1 |