1.0 2020-04-06 11:05:31 UTC 2025-11-19 03:10:32 UTC FDB111670 8-Oxoguanine C5H3N5O2 165.1096 165.028674365 6-hydroxy-2-imino-8,9-dihydro-2H-purin-8-one 8-oxoguanine OC1=NC(=N)N=C2NC(=O)N=C12 InChI=1S/C5H3N5O2/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h(H3,6,8,9,10,11,12) UBKVUFQGVWHZIR-UHFFFAOYSA-N belongs to the class of organic compounds known as purinones. These are purines in which the purine moiety bears a C=O group. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring. Purinones Organic compounds Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives Aliphatic heteropolycyclic compounds Azacyclic compounds Carbonyl compounds Carboxamidines Carboximidamides Hydrocarbon derivatives Hydropyrimidines Imidazolines Imines Organic carbonic acids and derivatives Organic oxides Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds 2,5-dihydropyrimidine 3-imidazoline Aliphatic heteropolycyclic compound Amidine Azacycle Carbonic acid derivative Carbonyl group Carboximidamide Carboxylic acid amidine Hydrocarbon derivative Hydropyrimidine Imine Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Propargyl-type 1,3-dipolar organic compound Purinone 2-aminopurines oxopurine logp -0.98 ALOGPS logs -2.61 ALOGPS solubility 4.02e-01 g/l ALOGPS logp -0.61 ChemAxon pka_strongest_acidic 2.76 ChemAxon pka_strongest_basic -0.95 ChemAxon iupac 6-hydroxy-2-imino-8,9-dihydro-2H-purin-8-one ChemAxon average_mass 165.1096 ChemAxon mono_mass 165.028674365 ChemAxon smiles OC1=NC(=N)N=C2NC(=O)N=C12 ChemAxon formula C5H3N5O2 ChemAxon inchi InChI=1S/C5H3N5O2/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h(H3,6,8,9,10,11,12) ChemAxon inchikey UBKVUFQGVWHZIR-UHFFFAOYSA-N ChemAxon polar_surface_area 110.26 ChemAxon refractivity 47.02 ChemAxon polarizability 13.51 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 9405 Specdb::MsIr 9406 Specdb::MsIr 9407 Specdb::CMs 16297 Specdb::CMs 47575 Specdb::CMs 137576 Specdb::CMs 145310 Specdb::MsMs 302101 Specdb::MsMs 302102 Specdb::MsMs 302103 Specdb::MsMs 344740 Specdb::MsMs 344741 Specdb::MsMs 344742 Specdb::MsMs 2413465 Specdb::MsMs 2413466 Specdb::MsMs 2413467 Specdb::MsMs 2552189 Specdb::MsMs 2552190 Specdb::MsMs 2552191 HMDB0041820 Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823