Molecule ID: mol8113

SMILES: CN(C)c1nc2c(c(N(C)C)n1)NC(=O)CN2

InChI: InChI=1S/C10H16N6O/c1-15(2)9-7-8(11-5-6(17)12-7)13-10(14-9)16(3)4/h5H2,1-4H3,(H,12,17)(H,11,13,14)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
5.16 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization