Molecule ID: mol9366

SMILES: Cn1nnc2[nH]c(=O)nc(N)c21

InChI: InChI=1S/C5H6N6O/c1-11-2-3(6)7-5(12)8-4(2)9-10-11/h1H3,(H3,6,7,8,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization