Molecule ID: mol4148

SMILES: CNc1ncnc(N)c1N

InChI: InChI=1S/C5H9N5/c1-8-5-3(6)4(7)9-2-10-5/h2H,6H2,1H3,(H3,7,8,9,10)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
5.90 IUPAC digitized pKa 1 » 0
5.93 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization