1.0 2026-09-22 03:19:45 UTC 2026-09-22 03:19:45 UTC FDB117606 5-AZAURACIL 1H-1,3,5-triazine-2,4-dione C3H3N3O2 113.076 113.022526349 1,2,3,4-tetrahydro-1,3,5-triazine-2,4-dione oxaidin O=C1NC=NC(=O)N1 InChI=1S/C3H3N3O2/c7-2-4-1-5-3(8)6-2/h1H,(H2,4,5,6,7,8) GEWRKGDRYZIFNP-UHFFFAOYSA-N belongs to the class of organic compounds known as triazinones. Triazinones are compounds containing a triazine ring which bears a ketone group a carbon atom. Triazinones Organic compounds Organoheterocyclic compounds Triazines Triazinones Aromatic heteromonocyclic compounds 1,3,5-triazines Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Ureas 1,3,5-triazine Aromatic heteromonocyclic compound Azacycle Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Triazinone Urea logp -1.68 ALOGPS logs -0.83 ALOGPS solubility 1.66e+01 g/l ALOGPS logp -1.2 ChemAxon pka_strongest_acidic 5.26 ChemAxon pka_strongest_basic -2.2 ChemAxon iupac 1,2,3,4-tetrahydro-1,3,5-triazine-2,4-dione ChemAxon average_mass 113.076 ChemAxon mono_mass 113.022526349 ChemAxon smiles O=C1NC=NC(=O)N1 ChemAxon formula C3H3N3O2 ChemAxon inchi InChI=1S/C3H3N3O2/c7-2-4-1-5-3(8)6-2/h1H,(H2,4,5,6,7,8) ChemAxon inchikey GEWRKGDRYZIFNP-UHFFFAOYSA-N ChemAxon polar_surface_area 70.56 ChemAxon refractivity 23.42 ChemAxon polarizability 8.73 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 108179 Specdb::CMs 120698 Specdb::MsMs 3394300 Specdb::MsMs 3394301 Specdb::MsMs 3394302 Specdb::MsMs 3394303 Specdb::MsMs 3394304 Specdb::MsMs 3394305 Specdb::NmrOneD 169541 Specdb::NmrOneD 169542 Specdb::NmrOneD 169543 Specdb::NmrOneD 169544 Specdb::NmrOneD 169545 Specdb::NmrOneD 169546 Specdb::NmrOneD 169547 Specdb::NmrOneD 169548 Specdb::NmrOneD 169549 Specdb::NmrOneD 169550 Specdb::NmrOneD 169551 Specdb::NmrOneD 169552 Specdb::NmrOneD 169553 Specdb::NmrOneD 169554 Specdb::NmrOneD 169555 Specdb::NmrOneD 169556 Specdb::NmrOneD 169557 Specdb::NmrOneD 169558 Specdb::NmrOneD 169559 Specdb::NmrOneD 169560