1.0 2011-09-21 00:25:00 UTC 2015-07-21 06:57:31 UTC FDB023121 5-Aminoimidazole-4-carboxamide An imidazole derivative which is a metabolite of the antineoplastic agents BIC and DIC. By itself, or as the ribonucleotide, it is used as a condensation agent in the preparation of nucleosides and nucleotides. Compounded with orotic acid, it is used to treat liver diseases. -- Pubchem [HMDB] 4-amino-5-Carbamoylimidazole 4-Amino-5-Imidazolecarboxamide 4-Aminoimidazole-5-carboxamide 4-Carbamoyl-5-aminoimidazole 4-Carboxamido-5-aminoimidazole 5-amino-1H-Imidazole-4-carboxamide 5-amino-4-imidazolecarboxamide 5-amino-4-Imidazolecarboxyamide 5-amino-Imidazole-4-carboxamide 5-Aminoimidazol-4-carboxamide 5(4)-amino-4(5)-Imidazolecarboxamide AIC AICA Colahepat C4H6N4O 126.1166 126.054160834 4-amino-1H-imidazole-5-carboxamide 4-aminoimidazole-5-carboxamide 360-97-4 NC(=O)C1=C(N)N=CN1 InChI=1S/C4H6N4O/c5-3-2(4(6)9)7-1-8-3/h1H,5H2,(H2,6,9)(H,7,8) DVNYTAVYBRSTGK-UHFFFAOYSA-N belongs to the class of organic compounds known as aminoimidazoles. These are organic compounds containing an amino group linked to an imidazole ring. Aminoimidazoles Organic compounds Organoheterocyclic compounds Azoles Imidazoles Aromatic heteromonocyclic compounds Azacyclic compounds Carboximidic acids Heteroaromatic compounds Hydrocarbon derivatives Organooxygen compounds Organopnictogen compounds Primary amines Amine Aminoimidazole Aromatic heteromonocyclic compound Azacycle Carboximidic acid Carboximidic acid derivative Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary amine aminoimidazole monocarboxylic acid amide Solid logp -1.16 ALOGPS logs -0.01 ALOGPS solubility 1.24e+02 g/l ALOGPS logp -0.96 ChemAxon pka_strongest_acidic 12.74 ChemAxon pka_strongest_basic 5.26 ChemAxon iupac 4-amino-1H-imidazole-5-carboxamide ChemAxon average_mass 126.1166 ChemAxon mono_mass 126.054160834 ChemAxon smiles NC(=O)C1=C(N)N=CN1 ChemAxon formula C4H6N4O ChemAxon inchi InChI=1S/C4H6N4O/c5-3-2(4(6)9)7-1-8-3/h1H,5H2,(H2,6,9)(H,7,8) ChemAxon inchikey DVNYTAVYBRSTGK-UHFFFAOYSA-N ChemAxon polar_surface_area 97.79 ChemAxon refractivity 32.98 ChemAxon polarizability 11.37 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 1895 Specdb::MsIr 1896 Specdb::MsIr 1897 Specdb::NmrOneD 135320 Specdb::NmrOneD 135321 Specdb::NmrOneD 135322 Specdb::NmrOneD 135323 Specdb::NmrOneD 135324 Specdb::NmrOneD 135325 Specdb::NmrOneD 135326 Specdb::NmrOneD 135327 Specdb::NmrOneD 135328 Specdb::NmrOneD 135329 Specdb::NmrOneD 135330 Specdb::NmrOneD 135331 Specdb::NmrOneD 135332 Specdb::NmrOneD 135333 Specdb::NmrOneD 135334 Specdb::NmrOneD 135335 Specdb::NmrOneD 135336 Specdb::NmrOneD 135337 Specdb::NmrOneD 135338 Specdb::NmrOneD 135339 Specdb::CMs 1440 Specdb::CMs 1451 Specdb::CMs 25213 Specdb::CMs 31444 Specdb::CMs 31445 Specdb::CMs 31725 Specdb::CMs 31726 Specdb::CMs 31790 Specdb::CMs 160991 Specdb::MsMs 23192 Specdb::MsMs 23193 Specdb::MsMs 23194 Specdb::MsMs 29990 Specdb::MsMs 29991 Specdb::MsMs 29992 Specdb::MsMs 437244 Specdb::MsMs 437245 Specdb::MsMs 437246 Specdb::MsMs 437247 Specdb::MsMs 437248 Specdb::MsMs 445716 Specdb::MsMs 445717 Specdb::MsMs 445718 Specdb::MsMs 445719 Specdb::MsMs 445720 Specdb::MsMs 2239673 Specdb::MsMs 3055352 Specdb::MsMs 3055353 Specdb::MsMs 3055354 Specdb::MsMs 3111614 Specdb::MsMs 3111615 Specdb::MsMs 3111616 HMDB03192 5AC #<Reference:0x000055ce32028f90> #<Reference:0x000055ce32028dd8> #<Reference:0x000055ce32028c20> #<Reference:0x000055ce32028a68> #<Reference:0x000055ce320288b0> #<Reference:0x000055ce320286f8> #<Reference:0x000055ce32028540> #<Reference:0x000055ce32028388> #<Reference:0x000055ce32028180> #<Reference:0x000055ce32027f78> #<Reference:0x000055ce32027dc0> #<Reference:0x000055ce32027c08> #<Reference:0x000055ce32027a50> 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 Adenine phosphoribosyltransferase P07741 APRT Adenylosuccinate lyase P30566 ADSL Bifunctional purine biosynthesis protein PURH P31939 ATIC