Molecule ID: mol9153
SMILES: O=C1NCc2[nH]nnc2N1
InChI: InChI=1S/C4H5N5O/c10-4-5-1-2-3(6-4)8-9-7-2/h1H2,(H3,5,6,7,8,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -1.36 | IUPAC digitized pKa | 2 » 1 |
| 8.03 | IUPAC digitized pKa | 0 » -1 |
| 14.48 | IUPAC digitized pKa | -2 » -3 |