2-[6-amino-5-(4-benzyl-3,5-dimethylpiperazin-1-yl)pyridazin-3-yl]phenol;1-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxypiperidin-1-yl]ethanone;2-[6-amino-5-(1-methylimidazol-4-yl)pyridazin-3-yl]phenol;2-[6-amino-5-[methyl(2-phenylethyl)amino]pyridazin-3-yl]phenol;2-[6-amino-5-[(1S)-1-phenylethoxy]pyridazin-3-yl]phenol;2-[6-amino-5-(3-phenylpiperidin-1-yl)pyridazin-3-yl]phenol;2-(6-amino-5-piperazin-1-ylpyridazin-3-yl)phenol;2-[6-amino-5-(1-pyridin-3-ylethoxy)pyridazin-3-yl]phenol

C143H152N34O12 — CID 157259673

IUPAC2-[6-amino-5-(4-benzyl-3,5-dimethylpiperazin-1-yl)pyridazin-3-yl]phenol;1-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxypiperidin-1-yl]ethanone;2-[6-amino-5-(1-methylimidazol-4-yl)pyridazin-3-yl]phenol;2-[6-amino-5-[methyl(2-phenylethyl)amino]pyridazin-3-yl]phenol;2-[6-amino-5-[(1S)-1-phenylethoxy]pyridazin-3-yl]phenol;2-[6-amino-5-(3-phenylpiperidin-1-yl)pyridazin-3-yl]phenol;2-(6-amino-5-piperazin-1-ylpyridazin-3-yl)phenol;2-[6-amino-5-(1-pyridin-3-ylethoxy)pyridazin-3-yl]phenol
SMILESCC(=O)N1CCCC(Oc2cc(-c3ccccc3O)nnc2N)C1.CC(Oc1cc(-c2ccccc2O)nnc1N)c1cccnc1.CC1CN(c2cc(-c3ccccc3O)nnc2N)CC(C)N1Cc1ccccc1.CN(CCc1ccccc1)c1cc(-c2ccccc2O)nnc1N.C[C@H](Oc1cc(-c2ccccc2O)nnc1N)c1ccccc1.Cn1cnc(-c2cc(-c3ccccc3O)nnc2N)c1.Nc1nnc(-c2ccccc2O)cc1N1CCCC(c2ccccc2)C1.Nc1nnc(-c2ccccc2O)cc1N1CCNCC1
InChIInChI=1S/C23H27N5O.C21H22N4O.C19H20N4O.C18H17N3O2.C17H20N4O3.C17H16N4O2.C14H13N5O.C14H17N5O/c1-16-13-27(14-17(2)28(16)15-18-8-4-3-5-9-18)21-12-20(25-26-23(21)24)19-10-6-7-11-22(19)29;22-21-19(13-18(23-24-21)17-10-4-5-11-20(17)26)25-12-6-9-16(14-25)15-7-2-1-3-8-15;1-23(12-11-14-7-3-2-4-8-14)17-13-16(21-22-19(17)20)15-9-5-6-10-18(15)24;1-12(13-7-3-2-4-8-13)23-17-11-15(20-21-18(17)19)14-9-5-6-10-16(14)22;1-11(22)21-8-4-5-12(10-21)24-16-9-14(19-20-17(16)18)13-6-2-3-7-15(13)23;1-11(12-5-4-8-19-10-12)23-16-9-14(20-21-17(16)18)13-6-2-3-7-15(13)22;1-19-7-12(16-8-19)10-6-11(17-18-14(10)15)9-4-2-3-5-13(9)20;15-14-12(19-7-5-16-6-8-19)9-11(17-18-14)10-3-1-2-4-13(10)20/h3-12,16-17,29H,13-15H2,1-2H3,(H2,24,26);1-5,7-8,10-11,13,16,26H,6,9,12,14H2,(H2,22,24);2-10,13,24H,11-12H2,1H3,(H2,20,22);2-12,22H,1H3,(H2,19,21);2-3,6-7,9,12,23H,4-5,8,10H2,1H3,(H2,18,20);2-11,22H,1H3,(H2,18,21);2-8,20H,1H3,(H2,15,18);1-4,9,16,20H,5-8H2,(H2,15,18)/t;;;12-;;;;/m...0..../s1
InChIKeyAXHQNRVCFSCADD-FSQKWYJOSA-N
MW2539.01 g/mol
LogP21.49
Rot. Bonds27

About 2-[6-amino-5-(4-benzyl-3,5-dimethylpiperazin-1-yl)pyridazin-3-yl]phenol;1-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxypiperidin-1-yl]ethanone;2-[6-amino-5-(1-methylimidazol-4-yl)pyridazin-3-yl]phenol;2-[6-amino-5-[methyl(2-phenylethyl)amino]pyridazin-3-yl]phenol;2-[6-amino-5-[(1S)-1-phenylethoxy]pyridazin-3-yl]phenol;2-[6-amino-5-(3-phenylpiperidin-1-yl)pyridazin-3-yl]phenol;2-(6-amino-5-piperazin-1-ylpyridazin-3-yl)phenol;2-[6-amino-5-(1-pyridin-3-ylethoxy)pyridazin-3-yl]phenol

2-[6-amino-5-(4-benzyl-3,5-dimethylpiperazin-1-yl)pyridazin-3-yl]phenol;1-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxypiperidin-1-yl]ethanone;2-[6-amino-5-(1-methylimidazol-4-yl)pyridazin-3-yl]phenol;2-[6-amino-5-[methyl(2-phenylethyl)amino]pyridazin-3-yl]phenol;2-[6-amino-5-[(1S)-1-phenylethoxy]pyridazin-3-yl]phenol;2-[6-amino-5-(3-phenylpiperidin-1-yl)pyridazin-3-yl]phenol;2-(6-amino-5-piperazin-1-ylpyridazin-3-yl)phenol;2-[6-amino-5-(1-pyridin-3-ylethoxy)pyridazin-3-yl]phenol (PubChem CID 157259673) has the molecular formula C143H152N34O12 and a molecular weight of 2539.01 g/mol. Its IUPAC name is 2-[6-amino-5-(4-benzyl-3,5-dimethylpiperazin-1-yl)pyridazin-3-yl]phenol;1-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxypiperidin-1-yl]ethanone;2-[6-amino-5-(1-methylimidazol-4-yl)pyridazin-3-yl]phenol;2-[6-amino-5-[methyl(2-phenylethyl)amino]pyridazin-3-yl]phenol;2-[6-amino-5-[(1S)-1-phenylethoxy]pyridazin-3-yl]phenol;2-[6-amino-5-(3-phenylpiperidin-1-yl)pyridazin-3-yl]phenol;2-(6-amino-5-piperazin-1-ylpyridazin-3-yl)phenol;2-[6-amino-5-(1-pyridin-3-ylethoxy)pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-amino-5-(4-benzyl-3,5-dimethylpiperazin-1-yl)pyridazin-3-yl]phenol;1-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxypiperidin-1-yl]ethanone;2-[6-amino-5-(1-methylimidazol-4-yl)pyridazin-3-yl]phenol;2-[6-amino-5-[methyl(2-phenylethyl)amino]pyridazin-3-yl]phenol;2-[6-amino-5-[(1S)-1-phenylethoxy]pyridazin-3-yl]phenol;2-[6-amino-5-(3-phenylpiperidin-1-yl)pyridazin-3-yl]phenol;2-(6-amino-5-piperazin-1-ylpyridazin-3-yl)phenol;2-[6-amino-5-(1-pyridin-3-ylethoxy)pyridazin-3-yl]phenol
PubChem CID157259673
Molecular FormulaC143H152N34O12
Molecular Weight2539.01 g/mol
Exact Mass2537.23
IUPAC Name2-[6-amino-5-(4-benzyl-3,5-dimethylpiperazin-1-yl)pyridazin-3-yl]phenol;1-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxypiperidin-1-yl]ethanone;2-[6-amino-5-(1-methylimidazol-4-yl)pyridazin-3-yl]phenol;2-[6-amino-5-[methyl(2-phenylethyl)amino]pyridazin-3-yl]phenol;2-[6-amino-5-[(1S)-1-phenylethoxy]pyridazin-3-yl]phenol;2-[6-amino-5-(3-phenylpiperidin-1-yl)pyridazin-3-yl]phenol;2-(6-amino-5-piperazin-1-ylpyridazin-3-yl)phenol;2-[6-amino-5-(1-pyridin-3-ylethoxy)pyridazin-3-yl]phenol
SMILESCC(=O)N1CCCC(Oc2cc(-c3ccccc3O)nnc2N)C1.CC(Oc1cc(-c2ccccc2O)nnc1N)c1cccnc1.CC1CN(c2cc(-c3ccccc3O)nnc2N)CC(C)N1Cc1ccccc1.CN(CCc1ccccc1)c1cc(-c2ccccc2O)nnc1N.C[C@H](Oc1cc(-c2ccccc2O)nnc1N)c1ccccc1.Cn1cnc(-c2cc(-c3ccccc3O)nnc2N)c1.Nc1nnc(-c2ccccc2O)cc1N1CCCC(c2ccccc2)C1.Nc1nnc(-c2ccccc2O)cc1N1CCNCC1
InChIInChI=1S/C23H27N5O.C21H22N4O.C19H20N4O.C18H17N3O2.C17H20N4O3.C17H16N4O2.C14H13N5O.C14H17N5O/c1-16-13-27(14-17(2)28(16)15-18-8-4-3-5-9-18)21-12-20(25-26-23(21)24)19-10-6-7-11-22(19)29;22-21-19(13-18(23-24-21)17-10-4-5-11-20(17)26)25-12-6-9-16(14-25)15-7-2-1-3-8-15;1-23(12-11-14-7-3-2-4-8-14)17-13-16(21-22-19(17)20)15-9-5-6-10-18(15)24;1-12(13-7-3-2-4-8-13)23-17-11-15(20-21-18(17)19)14-9-5-6-10-16(14)22;1-11(22)21-8-4-5-12(10-21)24-16-9-14(19-20-17(16)18)13-6-2-3-7-15(13)23;1-11(12-5-4-8-19-10-12)23-16-9-14(20-21-17(16)18)13-6-2-3-7-15(13)22;1-19-7-12(16-8-19)10-6-11(17-18-14(10)15)9-4-2-3-5-13(9)20;15-14-12(19-7-5-16-6-8-19)9-11(17-18-14)10-3-1-2-4-13(10)20/h3-12,16-17,29H,13-15H2,1-2H3,(H2,24,26);1-5,7-8,10-11,13,16,26H,6,9,12,14H2,(H2,22,24);2-10,13,24H,11-12H2,1H3,(H2,20,22);2-12,22H,1H3,(H2,19,21);2-3,6-7,9,12,23H,4-5,8,10H2,1H3,(H2,18,20);2-11,22H,1H3,(H2,18,21);2-8,20H,1H3,(H2,15,18);1-4,9,16,20H,5-8H2,(H2,15,18)/t;;;12-;;;;/m...0..../s1
InChIKeyAXHQNRVCFSCADD-FSQKWYJOSA-N
XLogP21.49
TPSA683.18 Ų
H-Bond Donors17
H-Bond Acceptors45
Rotatable Bonds27
Heavy Atoms189
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002539.01
LogP ≤ 521.49
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1045

Analyze 2-[6-amino-5-(4-benzyl-3,5-dimethylpiperazin-1-yl)pyridazin-3-yl]phenol;1-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxypiperidin-1-yl]ethanone;2-[6-amino-5-(1-methylimidazol-4-yl)pyridazin-3-yl]phenol;2-[6-amino-5-[methyl(2-phenylethyl)amino]pyridazin-3-yl]phenol;2-[6-amino-5-[(1S)-1-phenylethoxy]pyridazin-3-yl]phenol;2-[6-amino-5-(3-phenylpiperidin-1-yl)pyridazin-3-yl]phenol;2-(6-amino-5-piperazin-1-ylpyridazin-3-yl)phenol;2-[6-amino-5-(1-pyridin-3-ylethoxy)pyridazin-3-yl]phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-(4-benzyl-3,5-dimethylpiperazin-1-yl)pyridazin-3-yl]phenol;1-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxypiperidin-1-yl]ethanone;2-[6-amino-5-(1-methylimidazol-4-yl)pyridazin-3-yl]phenol;2-[6-amino-5-[methyl(2-phenylethyl)amino]pyridazin-3-yl]phenol;2-[6-amino-5-[(1S)-1-phenylethoxy]pyridazin-3-yl]phenol;2-[6-amino-5-(3-phenylpiperidin-1-yl)pyridazin-3-yl]phenol;2-(6-amino-5-piperazin-1-ylpyridazin-3-yl)phenol;2-[6-amino-5-(1-pyridin-3-ylethoxy)pyridazin-3-yl]phenol?
The IUPAC name of 2-[6-amino-5-(4-benzyl-3,5-dimethylpiperazin-1-yl)pyridazin-3-yl]phenol;1-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxypiperidin-1-yl]ethanone;2-[6-amino-5-(1-methylimidazol-4-yl)pyridazin-3-yl]phenol;2-[6-amino-5-[methyl(2-phenylethyl)amino]pyridazin-3-yl]phenol;2-[6-amino-5-[(1S)-1-phenylethoxy]pyridazin-3-yl]phenol;2-[6-amino-5-(3-phenylpiperidin-1-yl)pyridazin-3-yl]phenol;2-(6-amino-5-piperazin-1-ylpyridazin-3-yl)phenol;2-[6-amino-5-(1-pyridin-3-ylethoxy)pyridazin-3-yl]phenol (CID 157259673) is 2-[6-amino-5-(4-benzyl-3,5-dimethylpiperazin-1-yl)pyridazin-3-yl]phenol;1-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxypiperidin-1-yl]ethanone;2-[6-amino-5-(1-methylimidazol-4-yl)pyridazin-3-yl]phenol;2-[6-amino-5-[methyl(2-phenylethyl)amino]pyridazin-3-yl]phenol;2-[6-amino-5-[(1S)-1-phenylethoxy]pyridazin-3-yl]phenol;2-[6-amino-5-(3-phenylpiperidin-1-yl)pyridazin-3-yl]phenol;2-(6-amino-5-piperazin-1-ylpyridazin-3-yl)phenol;2-[6-amino-5-(1-pyridin-3-ylethoxy)pyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-amino-5-(4-benzyl-3,5-dimethylpiperazin-1-yl)pyridazin-3-yl]phenol;1-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxypiperidin-1-yl]ethanone;2-[6-amino-5-(1-methylimidazol-4-yl)pyridazin-3-yl]phenol;2-[6-amino-5-[methyl(2-phenylethyl)amino]pyridazin-3-yl]phenol;2-[6-amino-5-[(1S)-1-phenylethoxy]pyridazin-3-yl]phenol;2-[6-amino-5-(3-phenylpiperidin-1-yl)pyridazin-3-yl]phenol;2-(6-amino-5-piperazin-1-ylpyridazin-3-yl)phenol;2-[6-amino-5-(1-pyridin-3-ylethoxy)pyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-amino-5-(4-benzyl-3,5-dimethylpiperazin-1-yl)pyridazin-3-yl]phenol;1-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxypiperidin-1-yl]ethanone;2-[6-amino-5-(1-methylimidazol-4-yl)pyridazin-3-yl]phenol;2-[6-amino-5-[methyl(2-phenylethyl)amino]pyridazin-3-yl]phenol;2-[6-amino-5-[(1S)-1-phenylethoxy]pyridazin-3-yl]phenol;2-[6-amino-5-(3-phenylpiperidin-1-yl)pyridazin-3-yl]phenol;2-(6-amino-5-piperazin-1-ylpyridazin-3-yl)phenol;2-[6-amino-5-(1-pyridin-3-ylethoxy)pyridazin-3-yl]phenol is CC(=O)N1CCCC(Oc2cc(-c3ccccc3O)nnc2N)C1.CC(Oc1cc(-c2ccccc2O)nnc1N)c1cccnc1.CC1CN(c2cc(-c3ccccc3O)nnc2N)CC(C)N1Cc1ccccc1.CN(CCc1ccccc1)c1cc(-c2ccccc2O)nnc1N.C[C@H](Oc1cc(-c2ccccc2O)nnc1N)c1ccccc1.Cn1cnc(-c2cc(-c3ccccc3O)nnc2N)c1.Nc1nnc(-c2ccccc2O)cc1N1CCCC(c2ccccc2)C1.Nc1nnc(-c2ccccc2O)cc1N1CCNCC1.
What is the InChIKey of 2-[6-amino-5-(4-benzyl-3,5-dimethylpiperazin-1-yl)pyridazin-3-yl]phenol;1-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxypiperidin-1-yl]ethanone;2-[6-amino-5-(1-methylimidazol-4-yl)pyridazin-3-yl]phenol;2-[6-amino-5-[methyl(2-phenylethyl)amino]pyridazin-3-yl]phenol;2-[6-amino-5-[(1S)-1-phenylethoxy]pyridazin-3-yl]phenol;2-[6-amino-5-(3-phenylpiperidin-1-yl)pyridazin-3-yl]phenol;2-(6-amino-5-piperazin-1-ylpyridazin-3-yl)phenol;2-[6-amino-5-(1-pyridin-3-ylethoxy)pyridazin-3-yl]phenol?
The InChIKey is AXHQNRVCFSCADD-FSQKWYJOSA-N. The full InChI is InChI=1S/C23H27N5O.C21H22N4O.C19H20N4O.C18H17N3O2.C17H20N4O3.C17H16N4O2.C14H13N5O.C14H17N5O/c1-16-13-27(14-17(2)28(16)15-18-8-4-3-5-9-18)21-12-20(25-26-23(21)24)19-10-6-7-11-22(19)29;22-21-19(13-18(23-24-21)17-10-4-5-11-20(17)26)25-12-6-9-16(14-25)15-7-2-1-3-8-15;1-23(12-11-14-7-3-2-4-8-14)17-13-16(21-22-19(17)20)15-9-5-6-10-18(15)24;1-12(13-7-3-2-4-8-13)23-17-11-15(20-21-18(17)19)14-9-5-6-10-16(14)22;1-11(22)21-8-4-5-12(10-21)24-16-9-14(19-20-17(16)18)13-6-2-3-7-15(13)23;1-11(12-5-4-8-19-10-12)23-16-9-14(20-21-17(16)18)13-6-2-3-7-15(13)22;1-19-7-12(16-8-19)10-6-11(17-18-14(10)15)9-4-2-3-5-13(9)20;15-14-12(19-7-5-16-6-8-19)9-11(17-18-14)10-3-1-2-4-13(10)20/h3-12,16-17,29H,13-15H2,1-2H3,(H2,24,26);1-5,7-8,10-11,13,16,26H,6,9,12,14H2,(H2,22,24);2-10,13,24H,11-12H2,1H3,(H2,20,22);2-12,22H,1H3,(H2,19,21);2-3,6-7,9,12,23H,4-5,8,10H2,1H3,(H2,18,20);2-11,22H,1H3,(H2,18,21);2-8,20H,1H3,(H2,15,18);1-4,9,16,20H,5-8H2,(H2,15,18)/t;;;12-;;;;/m...0..../s1.
What are the key properties of 2-[6-amino-5-(4-benzyl-3,5-dimethylpiperazin-1-yl)pyridazin-3-yl]phenol;1-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxypiperidin-1-yl]ethanone;2-[6-amino-5-(1-methylimidazol-4-yl)pyridazin-3-yl]phenol;2-[6-amino-5-[methyl(2-phenylethyl)amino]pyridazin-3-yl]phenol;2-[6-amino-5-[(1S)-1-phenylethoxy]pyridazin-3-yl]phenol;2-[6-amino-5-(3-phenylpiperidin-1-yl)pyridazin-3-yl]phenol;2-(6-amino-5-piperazin-1-ylpyridazin-3-yl)phenol;2-[6-amino-5-(1-pyridin-3-ylethoxy)pyridazin-3-yl]phenol?
2-[6-amino-5-(4-benzyl-3,5-dimethylpiperazin-1-yl)pyridazin-3-yl]phenol;1-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxypiperidin-1-yl]ethanone;2-[6-amino-5-(1-methylimidazol-4-yl)pyridazin-3-yl]phenol;2-[6-amino-5-[methyl(2-phenylethyl)amino]pyridazin-3-yl]phenol;2-[6-amino-5-[(1S)-1-phenylethoxy]pyridazin-3-yl]phenol;2-[6-amino-5-(3-phenylpiperidin-1-yl)pyridazin-3-yl]phenol;2-(6-amino-5-piperazin-1-ylpyridazin-3-yl)phenol;2-[6-amino-5-(1-pyridin-3-ylethoxy)pyridazin-3-yl]phenol has a molecular weight of 2539.01 g/mol, XLogP of 21.49, 27 rotatable bonds, 17 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-5-(4-benzyl-3,5-dimethylpiperazin-1-yl)pyridazin-3-yl]phenol;1-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxypiperidin-1-yl]ethanone;2-[6-amino-5-(1-methylimidazol-4-yl)pyridazin-3-yl]phenol;2-[6-amino-5-[methyl(2-phenylethyl)amino]pyridazin-3-yl]phenol;2-[6-amino-5-[(1S)-1-phenylethoxy]pyridazin-3-yl]phenol;2-[6-amino-5-(3-phenylpiperidin-1-yl)pyridazin-3-yl]phenol;2-(6-amino-5-piperazin-1-ylpyridazin-3-yl)phenol;2-[6-amino-5-(1-pyridin-3-ylethoxy)pyridazin-3-yl]phenol is sourced from PubChem (CID 157259673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).