45883171 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 8 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 3 4 4 4 5 6 6 6 7 7 8 11 11 11 12 12 12 13 13 14 14 15 15 16 16 17 17 18 9 10 9 13 22 5 10 26 8 7 8 11 9 10 12 19 20 21 23 24 25 14 15 16 27 17 28 18 29 18 30 31 2 2 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 2 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 4.5981 5.4641 2.866 4.5981 3.732 2.866 3.732 2.866 3.732 4.5981 2 2 2.866 3.732 2 3.732 2 2.866 2.31 1.4631 1.69 2.3291 1.69 1.4631 2.31 5.135 4.269 1.4631 4.269 1.4631 2.866 0.25 -1.25 0.25 -2.75 -3.25 -1.75 -1.25 -2.75 -0.25 -1.75 -1.25 -3.25 1.25 1.75 1.75 2.75 2.75 3.25 -0.7131 -0.94 -1.7869 -0.06 -2.7131 -3.56 -3.7869 -3.06 1.44 1.44 3.06 3.06 3.87 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 6 6 7 13 13 14 15 16 17 5 10 8 7 8 10 14 15 16 17 18 18 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 432 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0733000000000000000000000000000000000000000304000000000000000010000001E00180000000C0881900032C082E20000A803257250009200002102001A88013064D808202AC8D191842008609C00C8C9071000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,4-dimethyl-6-oxo-N-phenyl-1H-pyridazine-5-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,4-dimethyl-6-oxo-N-phenyl-1H-pyridazine-5-carboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,4-dimethyl-6-oxo-<I>N</I>-phenyl-1<I>H</I>-pyridazine-5-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,4-dimethyl-6-oxo-N-phenyl-1H-pyridazine-5-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,4-dimethyl-6-oxidanylidene-N-phenyl-1H-pyridazine-5-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-keto-3,4-dimethyl-N-phenyl-1H-pyridazine-5-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C13H13N3O2/c1-8-9(2)15-16-13(18)11(8)12(17)14-10-6-4-3-5-7-10/h3-7H,1-2H3,(H,14,17)(H,16,18) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 XLKYLKQNUPZAJQ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 243.100776666 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C13H13N3O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 243.26 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=C(C(=O)NN=C1C)C(=O)NC2=CC=CC=C2 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=C(C(=O)NN=C1C)C(=O)NC2=CC=CC=C2 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 70.6 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 243.100776666 18 0 0 0 0 0 0 0 1 -1