46948099 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 8 8 7 7 7 7 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 2 2 3 3 3 4 4 5 6 6 6 7 7 8 8 9 10 11 11 12 12 13 13 14 15 16 17 18 19 19 19 20 20 20 21 21 21 14 20 16 21 5 7 9 9 10 15 15 19 28 8 10 11 12 13 22 14 23 17 24 18 25 16 18 17 26 27 29 30 31 32 33 34 35 36 37 1 1 1 1 1 1 1 2 1 2 1 1 1 1 2 2 1 1 1 1 1 2 1 2 1 2 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 5.696 7.653 5.4641 6.4103 4.5981 2.866 6.4103 6.721 5.4641 6.9939 6.0531 7.6995 4.5981 6.3638 3.732 7.3423 8.0102 3.732 2 6.0066 8.6315 7.6139 5.4465 8.1136 4.5981 8.6168 3.1951 2.866 2.31 1.4631 1.69 5.4173 6.1992 6.5959 8.5036 9.2381 8.7593 -2.1219 -2.5344 1.5724 2.8772 1.0724 1.0724 1.2677 0.3172 2.5724 2.0724 -0.4271 0.111 3.0724 -1.3776 1.5724 -1.5838 -0.8395 2.5724 1.5724 -3.0724 -2.7406 2.0724 -0.2992 0.5724 3.6924 -0.9674 2.8824 0.4524 2.1094 1.8824 1.0355 -3.2651 -3.6618 -2.8798 -3.3473 -2.8684 -2.1339 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 3 4 4 5 7 8 8 9 11 12 13 14 15 16 5 7 9 9 10 15 10 11 12 13 14 17 18 16 18 17 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 344 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E073B0000000000000000000000000000001600000003C400000000000005801F000001E00180000000C0CC19F063FB69EC81400A20336676400928C2F3132A01DD8A03EFC988D6EE2C4B99B94B02A7CD813CAE827B0D0B30E20000100000040004000020000008000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(3,4-dimethoxyphenyl)-N-methyl-imidazo[1,2-b]pyridazin-6-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(3,4-dimethoxyphenyl)-N-methyl-6-imidazo[1,2-b]pyridazinamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(3,4-dimethoxyphenyl)-<I>N</I>-methylimidazo[1,2-b]pyridazin-6-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(3,4-dimethoxyphenyl)-N-methylimidazo[1,2-b]pyridazin-6-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(3,4-dimethoxyphenyl)-N-methyl-imidazo[1,2-b]pyridazin-6-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]-methyl-amine InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C15H16N4O2/c1-16-14-6-7-15-17-9-11(19(15)18-14)10-4-5-12(20-2)13(8-10)21-3/h4-9H,1-3H3,(H,16,18) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 YAUDHRITCIYJEE-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 284.12732577 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C15H16N4O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 284.31 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CNC1=NN2C(=NC=C2C3=CC(=C(C=C3)OC)OC)C=C1 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CNC1=NN2C(=NC=C2C3=CC(=C(C=C3)OC)OC)C=C1 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 60.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 284.12732577 21 0 0 0 0 0 0 0 1 -1