3-bromo-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-5,7-difluoroquinoline;6-[(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(6-ethenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-(1-methylpyrazol-4-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline-3-carbonitrile;6-[(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline

C140H115BrClF2N47 — CID 157452857

About 3-bromo-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-5,7-difluoroquinoline;6-[(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(6-ethenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-(1-methylpyrazol-4-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline-3-carbonitrile;6-[(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline

3-bromo-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-5,7-difluoroquinoline;6-[(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(6-ethenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-(1-methylpyrazol-4-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline-3-carbonitrile;6-[(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline (PubChem CID 157452857) has the molecular formula C140H115BrClF2N47 and a molecular weight of 2609.14 g/mol. Its IUPAC name is 3-bromo-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-5,7-difluoroquinoline;6-[(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(6-ethenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-(1-methylpyrazol-4-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline-3-carbonitrile;6-[(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline.

Molecular Properties

• Compound Name: 3-bromo-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-5,7-difluoroquinoline;6-[(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(6-ethenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-(1-methylpyrazol-4-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline-3-carbonitrile;6-[(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline
• PubChem CID: 157452857
• Molecular Formula: C140H115BrClF2N47
• Molecular Weight: 2609.14 g/mol
• Exact Mass: 2605.93
• IUPAC Name: 3-bromo-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-5,7-difluoroquinoline;6-[(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(6-ethenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-(1-methylpyrazol-4-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline-3-carbonitrile;6-[(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline
• SMILES: C=Cc1ccc2nnc(Cc3ccc4ncccc4c3)n2n1.CN1CCN(c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)CC1.Cc1ccc2nnc(Cc3ccc4ncc(Br)cc4c3)n2n1.Cc1ccc2nnc(Cc3ccc4ncc(C#N)cc4c3)n2n1.Cn1cc(-c2ccc3nnc(Cc4c[nH]c5ncccc45)n3n2)cn1.Fc1cc2ncccc2c(F)c1Cc1nnc2ccc(Cl)nn12.c1cnc2ccc(Cc3nnc4ccc(C5CC5)nn34)cc2c1.c1cnc2ccc(Cc3nnc4ccc(N5CCCCC5)nn34)cc2c1
• InChI: InChI=1S/C20H21N7.C20H20N6.C18H15N5.C17H14N8.C17H12N6.C17H13N5.C16H12BrN5.C15H8ClF2N5/c1-25-9-11-26(12-10-25)19-7-6-18-22-23-20(27(18)24-19)14-15-4-5-17-16(13-15)3-2-8-21-17;1-2-11-25(12-3-1)19-9-8-18-22-23-20(26(18)24-19)14-15-6-7-17-16(13-15)5-4-10-21-17;1-2-14-10-12(3-6-15(14)19-9-1)11-18-21-20-17-8-7-16(13-4-5-13)22-23(17)18;1-24-10-12(9-20-24)14-4-5-15-21-22-16(25(15)23-14)7-11-8-19-17-13(11)3-2-6-18-17;1-11-2-5-16-20-21-17(23(16)22-11)8-12-3-4-15-14(6-12)7-13(9-18)10-19-15;1-2-14-6-8-16-19-20-17(22(16)21-14)11-12-5-7-15-13(10-12)4-3-9-18-15;1-10-2-5-15-19-20-16(22(15)21-10)7-11-3-4-14-12(6-11)8-13(17)9-18-14;16-12-3-4-13-20-21-14(23(13)22-12)6-9-10(17)7-11-8(15(9)18)2-1-5-19-11/h2-8,13H,9-12,14H2,1H3;4-10,13H,1-3,11-12,14H2;1-3,6-10,13H,4-5,11H2;2-6,8-10H,7H2,1H3,(H,18,19);2-7,10H,8H2,1H3;2-10H,1,11H2;2-6,8-9H,7H2,1H3;1-5,7H,6H2
• InChIKey: BSZQCQAYOMESGH-UHFFFAOYSA-N
• XLogP: 22.28
• TPSA: 514.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 46
• Rotatable Bonds: 21
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2609.14
LogP ≤ 5	22.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	46

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-5,7-difluoroquinoline;6-[(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(6-ethenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-(1-methylpyrazol-4-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline-3-carbonitrile;6-[(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline?

The IUPAC name of 3-bromo-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-5,7-difluoroquinoline;6-[(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(6-ethenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-(1-methylpyrazol-4-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline-3-carbonitrile;6-[(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline (CID 157452857) is 3-bromo-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-5,7-difluoroquinoline;6-[(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(6-ethenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-(1-methylpyrazol-4-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline-3-carbonitrile;6-[(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline.

What is the SMILES notation for 3-bromo-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-5,7-difluoroquinoline;6-[(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(6-ethenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-(1-methylpyrazol-4-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline-3-carbonitrile;6-[(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline?

The canonical SMILES for 3-bromo-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-5,7-difluoroquinoline;6-[(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(6-ethenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-(1-methylpyrazol-4-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline-3-carbonitrile;6-[(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline is C=Cc1ccc2nnc(Cc3ccc4ncccc4c3)n2n1.CN1CCN(c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)CC1.Cc1ccc2nnc(Cc3ccc4ncc(Br)cc4c3)n2n1.Cc1ccc2nnc(Cc3ccc4ncc(C#N)cc4c3)n2n1.Cn1cc(-c2ccc3nnc(Cc4c[nH]c5ncccc45)n3n2)cn1.Fc1cc2ncccc2c(F)c1Cc1nnc2ccc(Cl)nn12.c1cnc2ccc(Cc3nnc4ccc(C5CC5)nn34)cc2c1.c1cnc2ccc(Cc3nnc4ccc(N5CCCCC5)nn34)cc2c1.

What is the InChIKey of 3-bromo-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-5,7-difluoroquinoline;6-[(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(6-ethenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-(1-methylpyrazol-4-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline-3-carbonitrile;6-[(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline?

The InChIKey is BSZQCQAYOMESGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7.C20H20N6.C18H15N5.C17H14N8.C17H12N6.C17H13N5.C16H12BrN5.C15H8ClF2N5/c1-25-9-11-26(12-10-25)19-7-6-18-22-23-20(27(18)24-19)14-15-4-5-17-16(13-15)3-2-8-21-17;1-2-11-25(12-3-1)19-9-8-18-22-23-20(26(18)24-19)14-15-6-7-17-16(13-15)5-4-10-21-17;1-2-14-10-12(3-6-15(14)19-9-1)11-18-21-20-17-8-7-16(13-4-5-13)22-23(17)18;1-24-10-12(9-20-24)14-4-5-15-21-22-16(25(15)23-14)7-11-8-19-17-13(11)3-2-6-18-17;1-11-2-5-16-20-21-17(23(16)22-11)8-12-3-4-15-14(6-12)7-13(9-18)10-19-15;1-2-14-6-8-16-19-20-17(22(16)21-14)11-12-5-7-15-13(10-12)4-3-9-18-15;1-10-2-5-15-19-20-16(22(15)21-10)7-11-3-4-14-12(6-11)8-13(17)9-18-14;16-12-3-4-13-20-21-14(23(13)22-12)6-9-10(17)7-11-8(15(9)18)2-1-5-19-11/h2-8,13H,9-12,14H2,1H3;4-10,13H,1-3,11-12,14H2;1-3,6-10,13H,4-5,11H2;2-6,8-10H,7H2,1H3,(H,18,19);2-7,10H,8H2,1H3;2-10H,1,11H2;2-6,8-9H,7H2,1H3;1-5,7H,6H2.

What are the key properties of 3-bromo-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-5,7-difluoroquinoline;6-[(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(6-ethenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-(1-methylpyrazol-4-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline-3-carbonitrile;6-[(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline?

3-bromo-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-5,7-difluoroquinoline;6-[(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(6-ethenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-(1-methylpyrazol-4-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline-3-carbonitrile;6-[(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline has a molecular weight of 2609.14 g/mol, XLogP of 22.28, 21 rotatable bonds, 1 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-5,7-difluoroquinoline;6-[(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(6-ethenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-(1-methylpyrazol-4-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline-3-carbonitrile;6-[(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline is sourced from PubChem (CID 157452857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).