3-[3-[(1R)-1-(1,3-benzothiazol-6-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[3-[(1S)-1-(1,3-benzothiazol-6-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[3-(1,3-benzothiazol-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-(1,3-benzothiazol-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;6-[[6-(3-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,3-benzothiazole;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3-[3-[(1S)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[3-[(1R)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile

C165H115FN46O3S6 — CID 158379941

IUPAC3-[3-[(1R)-1-(1,3-benzothiazol-6-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[3-[(1S)-1-(1,3-benzothiazol-6-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[3-(1,3-benzothiazol-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-(1,3-benzothiazol-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;6-[[6-(3-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,3-benzothiazole;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3-[3-[(1S)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[3-[(1R)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile
SMILESCNC(=O)c1ccc(-c2ccc3nnc(Cc4ccc5ncsc5c4)n3n2)cc1F.CS(=O)(=O)c1cccc(-c2ccc3nnc(Cc4ccc5ncsc5c4)n3n2)c1.C[C@@H](c1ccc2ncccc2c1)c1nnc2ccc(-c3cccc(C#N)c3)nn12.C[C@@H](c1ccc2ncsc2c1)c1nnc2ccc(-c3cccc(C#N)c3)nn12.C[C@H](c1ccc2ncccc2c1)c1nnc2ccc(-c3cccc(C#N)c3)nn12.C[C@H](c1ccc2ncsc2c1)c1nnc2ccc(-c3cccc(C#N)c3)nn12.Cc1ccc2nnc(Cc3ccc4ncccc4c3)n2n1.N#Cc1cccc(-c2ccc3nnc(Cc4ccc5ncsc5c4)n3n2)c1
InChIInChI=1S/2C23H16N6.C21H15FN6OS.2C21H14N6S.C20H12N6S.C20H15N5O2S2.C16H13N5/c2*1-15(17-7-8-20-19(13-17)6-3-11-25-20)23-27-26-22-10-9-21(28-29(22)23)18-5-2-4-16(12-18)14-24;1-23-21(29)14-4-3-13(10-15(14)22)16-6-7-19-25-26-20(28(19)27-16)9-12-2-5-17-18(8-12)30-11-24-17;2*1-13(15-5-6-18-19(10-15)28-12-23-18)21-25-24-20-8-7-17(26-27(20)21)16-4-2-3-14(9-16)11-22;21-11-14-2-1-3-15(8-14)16-6-7-19-23-24-20(26(19)25-16)10-13-4-5-17-18(9-13)27-12-22-17;1-29(26,27)15-4-2-3-14(11-15)16-7-8-19-22-23-20(25(19)24-16)10-13-5-6-17-18(9-13)28-12-21-17;1-11-4-7-15-18-19-16(21(15)20-11)10-12-5-6-14-13(9-12)3-2-8-17-14/h2*2-13,15H,1H3;2-8,10-11H,9H2,1H3,(H,23,29);2*2-10,12-13H,1H3;1-9,12H,10H2;2-9,11-12H,10H2,1H3;2-9H,10H2,1H3/t2*15-;;2*13-;;;/m10.10.../s1
InChIKeyGVQXENRBCKIOEI-NBXLZYKBSA-N
MW3001.45 g/mol
LogP30.90
Rot. Bonds25

About 3-[3-[(1R)-1-(1,3-benzothiazol-6-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[3-[(1S)-1-(1,3-benzothiazol-6-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[3-(1,3-benzothiazol-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-(1,3-benzothiazol-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;6-[[6-(3-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,3-benzothiazole;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3-[3-[(1S)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[3-[(1R)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile

3-[3-[(1R)-1-(1,3-benzothiazol-6-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[3-[(1S)-1-(1,3-benzothiazol-6-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[3-(1,3-benzothiazol-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-(1,3-benzothiazol-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;6-[[6-(3-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,3-benzothiazole;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3-[3-[(1S)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[3-[(1R)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile (PubChem CID 158379941) has the molecular formula C165H115FN46O3S6 and a molecular weight of 3001.45 g/mol. Its IUPAC name is 3-[3-[(1R)-1-(1,3-benzothiazol-6-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[3-[(1S)-1-(1,3-benzothiazol-6-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[3-(1,3-benzothiazol-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-(1,3-benzothiazol-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;6-[[6-(3-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,3-benzothiazole;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3-[3-[(1S)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[3-[(1R)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile.

Molecular Properties

Compound Name3-[3-[(1R)-1-(1,3-benzothiazol-6-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[3-[(1S)-1-(1,3-benzothiazol-6-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[3-(1,3-benzothiazol-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-(1,3-benzothiazol-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;6-[[6-(3-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,3-benzothiazole;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3-[3-[(1S)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[3-[(1R)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile
PubChem CID158379941
Molecular FormulaC165H115FN46O3S6
Molecular Weight3001.45 g/mol
Exact Mass2998.86
IUPAC Name3-[3-[(1R)-1-(1,3-benzothiazol-6-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[3-[(1S)-1-(1,3-benzothiazol-6-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[3-(1,3-benzothiazol-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-(1,3-benzothiazol-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;6-[[6-(3-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,3-benzothiazole;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3-[3-[(1S)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[3-[(1R)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile
SMILESCNC(=O)c1ccc(-c2ccc3nnc(Cc4ccc5ncsc5c4)n3n2)cc1F.CS(=O)(=O)c1cccc(-c2ccc3nnc(Cc4ccc5ncsc5c4)n3n2)c1.C[C@@H](c1ccc2ncccc2c1)c1nnc2ccc(-c3cccc(C#N)c3)nn12.C[C@@H](c1ccc2ncsc2c1)c1nnc2ccc(-c3cccc(C#N)c3)nn12.C[C@H](c1ccc2ncccc2c1)c1nnc2ccc(-c3cccc(C#N)c3)nn12.C[C@H](c1ccc2ncsc2c1)c1nnc2ccc(-c3cccc(C#N)c3)nn12.Cc1ccc2nnc(Cc3ccc4ncccc4c3)n2n1.N#Cc1cccc(-c2ccc3nnc(Cc4ccc5ncsc5c4)n3n2)c1
InChIInChI=1S/2C23H16N6.C21H15FN6OS.2C21H14N6S.C20H12N6S.C20H15N5O2S2.C16H13N5/c2*1-15(17-7-8-20-19(13-17)6-3-11-25-20)23-27-26-22-10-9-21(28-29(22)23)18-5-2-4-16(12-18)14-24;1-23-21(29)14-4-3-13(10-15(14)22)16-6-7-19-25-26-20(28(19)27-16)9-12-2-5-17-18(8-12)30-11-24-17;2*1-13(15-5-6-18-19(10-15)28-12-23-18)21-25-24-20-8-7-17(26-27(20)21)16-4-2-3-14(9-16)11-22;21-11-14-2-1-3-15(8-14)16-6-7-19-23-24-20(26(19)25-16)10-13-4-5-17-18(9-13)27-12-22-17;1-29(26,27)15-4-2-3-14(11-15)16-7-8-19-22-23-20(25(19)24-16)10-13-5-6-17-18(9-13)28-12-21-17;1-11-4-7-15-18-19-16(21(15)20-11)10-12-5-6-14-13(9-12)3-2-8-17-14/h2*2-13,15H,1H3;2-8,10-11H,9H2,1H3,(H,23,29);2*2-10,12-13H,1H3;1-9,12H,10H2;2-9,11-12H,10H2,1H3;2-9H,10H2,1H3/t2*15-;;2*13-;;;/m10.10.../s1
InChIKeyGVQXENRBCKIOEI-NBXLZYKBSA-N
XLogP30.90
TPSA629.95 Ų
H-Bond Donors1
H-Bond Acceptors53
Rotatable Bonds25
Heavy Atoms221
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003001.45
LogP ≤ 530.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1053

Analyze 3-[3-[(1R)-1-(1,3-benzothiazol-6-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[3-[(1S)-1-(1,3-benzothiazol-6-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[3-(1,3-benzothiazol-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-(1,3-benzothiazol-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;6-[[6-(3-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,3-benzothiazole;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3-[3-[(1S)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[3-[(1R)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(1R)-1-(1,3-benzothiazol-6-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[3-[(1S)-1-(1,3-benzothiazol-6-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[3-(1,3-benzothiazol-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-(1,3-benzothiazol-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;6-[[6-(3-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,3-benzothiazole;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3-[3-[(1S)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[3-[(1R)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile?
The IUPAC name of 3-[3-[(1R)-1-(1,3-benzothiazol-6-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[3-[(1S)-1-(1,3-benzothiazol-6-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[3-(1,3-benzothiazol-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-(1,3-benzothiazol-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;6-[[6-(3-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,3-benzothiazole;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3-[3-[(1S)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[3-[(1R)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile (CID 158379941) is 3-[3-[(1R)-1-(1,3-benzothiazol-6-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[3-[(1S)-1-(1,3-benzothiazol-6-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[3-(1,3-benzothiazol-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-(1,3-benzothiazol-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;6-[[6-(3-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,3-benzothiazole;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3-[3-[(1S)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[3-[(1R)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile.
What is the SMILES notation for 3-[3-[(1R)-1-(1,3-benzothiazol-6-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[3-[(1S)-1-(1,3-benzothiazol-6-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[3-(1,3-benzothiazol-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-(1,3-benzothiazol-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;6-[[6-(3-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,3-benzothiazole;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3-[3-[(1S)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[3-[(1R)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile?
The canonical SMILES for 3-[3-[(1R)-1-(1,3-benzothiazol-6-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[3-[(1S)-1-(1,3-benzothiazol-6-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[3-(1,3-benzothiazol-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-(1,3-benzothiazol-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;6-[[6-(3-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,3-benzothiazole;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3-[3-[(1S)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[3-[(1R)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile is CNC(=O)c1ccc(-c2ccc3nnc(Cc4ccc5ncsc5c4)n3n2)cc1F.CS(=O)(=O)c1cccc(-c2ccc3nnc(Cc4ccc5ncsc5c4)n3n2)c1.C[C@@H](c1ccc2ncccc2c1)c1nnc2ccc(-c3cccc(C#N)c3)nn12.C[C@@H](c1ccc2ncsc2c1)c1nnc2ccc(-c3cccc(C#N)c3)nn12.C[C@H](c1ccc2ncccc2c1)c1nnc2ccc(-c3cccc(C#N)c3)nn12.C[C@H](c1ccc2ncsc2c1)c1nnc2ccc(-c3cccc(C#N)c3)nn12.Cc1ccc2nnc(Cc3ccc4ncccc4c3)n2n1.N#Cc1cccc(-c2ccc3nnc(Cc4ccc5ncsc5c4)n3n2)c1.
What is the InChIKey of 3-[3-[(1R)-1-(1,3-benzothiazol-6-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[3-[(1S)-1-(1,3-benzothiazol-6-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[3-(1,3-benzothiazol-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-(1,3-benzothiazol-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;6-[[6-(3-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,3-benzothiazole;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3-[3-[(1S)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[3-[(1R)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile?
The InChIKey is GVQXENRBCKIOEI-NBXLZYKBSA-N. The full InChI is InChI=1S/2C23H16N6.C21H15FN6OS.2C21H14N6S.C20H12N6S.C20H15N5O2S2.C16H13N5/c2*1-15(17-7-8-20-19(13-17)6-3-11-25-20)23-27-26-22-10-9-21(28-29(22)23)18-5-2-4-16(12-18)14-24;1-23-21(29)14-4-3-13(10-15(14)22)16-6-7-19-25-26-20(28(19)27-16)9-12-2-5-17-18(8-12)30-11-24-17;2*1-13(15-5-6-18-19(10-15)28-12-23-18)21-25-24-20-8-7-17(26-27(20)21)16-4-2-3-14(9-16)11-22;21-11-14-2-1-3-15(8-14)16-6-7-19-23-24-20(26(19)25-16)10-13-4-5-17-18(9-13)27-12-22-17;1-29(26,27)15-4-2-3-14(11-15)16-7-8-19-22-23-20(25(19)24-16)10-13-5-6-17-18(9-13)28-12-21-17;1-11-4-7-15-18-19-16(21(15)20-11)10-12-5-6-14-13(9-12)3-2-8-17-14/h2*2-13,15H,1H3;2-8,10-11H,9H2,1H3,(H,23,29);2*2-10,12-13H,1H3;1-9,12H,10H2;2-9,11-12H,10H2,1H3;2-9H,10H2,1H3/t2*15-;;2*13-;;;/m10.10.../s1.
What are the key properties of 3-[3-[(1R)-1-(1,3-benzothiazol-6-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[3-[(1S)-1-(1,3-benzothiazol-6-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[3-(1,3-benzothiazol-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-(1,3-benzothiazol-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;6-[[6-(3-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,3-benzothiazole;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3-[3-[(1S)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[3-[(1R)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile?
3-[3-[(1R)-1-(1,3-benzothiazol-6-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[3-[(1S)-1-(1,3-benzothiazol-6-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[3-(1,3-benzothiazol-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-(1,3-benzothiazol-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;6-[[6-(3-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,3-benzothiazole;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3-[3-[(1S)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[3-[(1R)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile has a molecular weight of 3001.45 g/mol, XLogP of 30.90, 25 rotatable bonds, 1 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(1R)-1-(1,3-benzothiazol-6-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[3-[(1S)-1-(1,3-benzothiazol-6-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[3-(1,3-benzothiazol-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-(1,3-benzothiazol-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;6-[[6-(3-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,3-benzothiazole;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3-[3-[(1S)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[3-[(1R)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile is sourced from PubChem (CID 158379941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).