1.0 2026-09-22 00:09:14 UTC 2026-09-22 00:09:14 UTC FDB117354 Toxoflavin 1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione C7H7N5O2 193.1628 193.059974493 1,6-dimethyl-1H,5H,6H,7H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione toxoflavin CN1N=CN=C2C(=O)N(C)C(=O)N=C12 InChI=1S/C7H7N5O2/c1-11-6(13)4-5(10-7(11)14)12(2)9-3-8-4/h3H,1-2H3 SLGRAIAQIAUZAQ-UHFFFAOYSA-N belongs to the class of organic compounds known as pyrimidones. Pyrimidones are compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. Pyrimidones Organic compounds Organoheterocyclic compounds Diazines Pyrimidines and pyrimidine derivatives Aromatic heteropolycyclic compounds 1,2,4-triazines Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Lactams Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Vinylogous amides 1,2,4-triazine Aromatic heteropolycyclic compound Azacycle Heteroaromatic compound Hydrocarbon derivative Lactam Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyrimidone Triazine Vinylogous amide 9,11,15-octadecatrienoic acid logp -0.57 ALOGPS logs -2.22 ALOGPS solubility 1.16e+00 g/l ALOGPS logp -1.1 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac 1,6-dimethyl-1H,5H,6H,7H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione ChemAxon average_mass 193.1628 ChemAxon mono_mass 193.059974493 ChemAxon smiles CN1N=CN=C2C(=O)N(C)C(=O)N=C12 ChemAxon formula C7H7N5O2 ChemAxon inchi InChI=1S/C7H7N5O2/c1-11-6(13)4-5(10-7(11)14)12(2)9-3-8-4/h3H,1-2H3 ChemAxon inchikey SLGRAIAQIAUZAQ-UHFFFAOYSA-N ChemAxon polar_surface_area 77.7 ChemAxon refractivity 46.01 ChemAxon polarizability 17.35 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 6 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon