6405258 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 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 8 8 8 8 7 7 7 7 6 6 6 6 6 6 6 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 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 4 5 5 5 6 6 6 7 7 8 9 9 10 10 11 12 13 14 15 15 16 16 17 18 19 19 20 20 21 21 22 23 24 25 25 25 26 26 26 27 27 27 28 28 28 11 25 12 26 17 27 18 28 9 13 29 10 14 30 8 13 14 11 15 12 16 19 20 21 22 17 31 18 32 23 24 23 33 24 34 22 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 2 1 1 1 1 1 2 1 2 1 1 1 2 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 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 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 9.7942 2.866 6.3301 6.3301 8.0622 4.5981 7.1962 6.3301 8.0622 4.5981 8.9282 3.732 7.1962 5.4641 7.1962 5.4641 7.1962 5.4641 8.9282 3.732 6.3301 5.4641 8.0622 4.5981 10.6603 2 6.3301 6.3301 8.5991 4.0611 6.6592 6.001 9.4651 3.1951 6.3301 4.9272 8.0622 4.5981 10.9703 11.1972 10.3503 1.69 1.4631 2.31 6.9501 6.3301 5.7101 5.7101 6.3301 6.9501 2 -2 4 -4 1 -1 -0.5 -1 2 -2 2.5 -2.5 0.5 -0.5 2.5 -2.5 3.5 -3.5 3.5 -3.5 1 0.5 4 -4 2.5 -2.5 5 -5 0.69 -0.69 2.19 -2.19 3.81 -3.81 1.62 0.81 4.62 -4.62 1.9631 2.81 3.0369 -1.9631 -2.81 -3.0369 5 5.62 5 -5 -5.62 -5 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 7 7 8 9 9 10 10 11 12 13 14 15 16 17 18 19 20 21 8 13 14 11 15 12 16 19 20 21 22 17 18 23 24 23 24 22 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 418 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 8 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 8 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07BB8000000000000000000000000000000000000003C608000000000000001D000001E0018000000080C81920233F692C00400A20026626000920C022122001D9820376C988E26E2C4B99B85B02876D81BD8E827D050030001000002000010000200000400002000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N3,N6-bis(2,5-dimethoxyphenyl)pyridazine-3,6-diamine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N3,N6-bis(2,5-dimethoxyphenyl)pyridazine-3,6-diamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-<I>N</I>,6-<I>N</I>-bis(2,5-dimethoxyphenyl)pyridazine-3,6-diamine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-N,6-N-bis(2,5-dimethoxyphenyl)pyridazine-3,6-diamine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N3,N6-bis(2,5-dimethoxyphenyl)pyridazine-3,6-diamine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [6-(2,5-dimethoxyanilino)pyridazin-3-yl]-(2,5-dimethoxyphenyl)amine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C20H22N4O4/c1-25-13-5-7-17(27-3)15(11-13)21-19-9-10-20(24-23-19)22-16-12-14(26-2)6-8-18(16)28-4/h5-12H,1-4H3,(H,21,23)(H,22,24) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 FNIFMQONEBLCKJ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 382.16410520 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C20H22N4O4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 382.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC(=C(C=C1)OC)NC2=NN=C(C=C2)NC3=C(C=CC(=C3)OC)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC(=C(C=C1)OC)NC2=NN=C(C=C2)NC3=C(C=CC(=C3)OC)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 86.8 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 382.16410520 28 0 0 0 0 0 0 0 1 -1