1.0 2016-09-30 22:49:27 UTC 2020-04-22 15:09:14 UTC BMDB0001978 BMDB01978 5-Hydroxypyrazinamide 2-carboxamido-5-Hydroxypyrazine 5-Hydroxy-(8ci)-pyrazinecarboxamide 5-Hydroxypyrazinecarboxamide 5-oxo-4,5-Dihydropyrazine-2-carboximidate 5-Hydroxypyrazinamide C5H5N3O2 139.1121 139.038176419 5-oxo-4,5-dihydropyrazine-2-carboxamide 5-oxo-4H-pyrazine-2-carboxamide 13924-96-4 NC(=O)C1=CNC(=O)C=N1 InChI=1S/C5H5N3O2/c6-5(10)3-1-8-4(9)2-7-3/h1-2H,(H2,6,10)(H,8,9) XENWQEOTDAQROM-UHFFFAOYSA-N belongs to the class of organic compounds known as pyrazinecarboxamides. Pyrazinecarboxamides are compounds containing a pyrazine ring which bears a carboxamide. Organic compounds Organoheterocyclic compounds Diazines Pyrazines Pyrazinecarboxamides 2-heteroaryl carboxamides Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Lactams Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Primary carboxylic acid amides Vinylogous amides 2-heteroaryl carboxamide Aromatic heteromonocyclic compound Azacycle Carboxamide group Carboxylic acid derivative Heteroaromatic compound Hydrocarbon derivative Lactam Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary carboxylic acid amide Pyrazinecarboxamide Vinylogous amide Aromatic heteromonocyclic compounds Solid logp -1.60 ALOGPS logs -1.30 ALOGPS logp -1.5 ChemAxon pka_strongest_acidic 9.91 ChemAxon pka_strongest_basic -1.4 ChemAxon iupac 5-oxo-4,5-dihydropyrazine-2-carboxamide ChemAxon average_mass 139.1121 ChemAxon mono_mass 139.038176419 ChemAxon smiles NC(=O)C1=CNC(=O)C=N1 ChemAxon formula C5H5N3O2 ChemAxon inchi InChI=1S/C5H5N3O2/c6-5(10)3-1-8-4(9)2-7-3/h1-2H,(H2,6,10)(H,8,9) ChemAxon inchikey XENWQEOTDAQROM-UHFFFAOYSA-N ChemAxon polar_surface_area 84.55 ChemAxon refractivity 33.71 ChemAxon polarizability 12.05 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 24671 Specdb::CMs 27712 Specdb::CMs 99735 Specdb::CMs 168215 Specdb::MsMs 320635 Specdb::MsMs 320636 Specdb::MsMs 320637 Specdb::MsMs 368053 Specdb::MsMs 368054 Specdb::MsMs 368055 Specdb::MsMs 2441740 Specdb::MsMs 2441741 Specdb::MsMs 2441742 Specdb::MsMs 2520122 Specdb::MsMs 2520123 Specdb::MsMs 2520124 Specdb::MsIr 1505 Specdb::MsIr 1506 Specdb::MsIr 1507 Specdb::NmrOneD 9982 Specdb::NmrOneD 9983 Specdb::NmrOneD 9984 Specdb::NmrOneD 9985 Specdb::NmrOneD 9986 Specdb::NmrOneD 9987 Specdb::NmrOneD 9988 Specdb::NmrOneD 9989 Specdb::NmrOneD 9990 Specdb::NmrOneD 9991 Specdb::NmrOneD 9992 Specdb::NmrOneD 9993 Specdb::NmrOneD 9994 Specdb::NmrOneD 9995 Specdb::NmrOneD 9996 Specdb::NmrOneD 9997 Specdb::NmrOneD 9998 Specdb::NmrOneD 9999 Specdb::NmrOneD 10000 Specdb::NmrOneD 10001 FDB022776 133812 151823 C01956 6413 Moriwaki Y; Yamamoto T; Nasako Y; Takahashi S; Suda M; Hiroishi K; Hada T; Higashino K In vitro oxidation of pyrazinamide and allopurinol by rat liver aldehyde oxidase. Biochemical pharmacology (1993), 46(6), 975-81.