Molecule ID: mol6641

SMILES: c1nc(CC2CN2)c[nH]1

InChI: InChI=1S/C6H9N3/c1(6-3-8-6)5-2-7-4-9-5/h2,4,6,8H,1,3H2,(H,7,9)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
5.58 IUPAC digitized pKa 2 » 1
7.61 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization