Molecule ID: mol8169

SMILES: CN(C)c1ncnc2c1ncc(=O)n2C

InChI: InChI=1S/C9H11N5O/c1-13(2)8-7-9(12-5-11-8)14(3)6(15)4-10-7/h4-5H,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization