3-(2,3-dihydro-1H-inden-5-ylmethyl)-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;3-[(4-methylphenyl)methyl]-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;(4-methylpiperazin-1-yl)-[5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]methanone;2-methyl-6-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,3-benzothiazole;2-propyl-5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,3-thiazole;6-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline

C119H97N31OS7 — CID 158896821

About 3-(2,3-dihydro-1H-inden-5-ylmethyl)-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;3-[(4-methylphenyl)methyl]-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;(4-methylpiperazin-1-yl)-[5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]methanone;2-methyl-6-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,3-benzothiazole;2-propyl-5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,3-thiazole;6-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline

3-(2,3-dihydro-1H-inden-5-ylmethyl)-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;3-[(4-methylphenyl)methyl]-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;(4-methylpiperazin-1-yl)-[5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]methanone;2-methyl-6-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,3-benzothiazole;2-propyl-5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,3-thiazole;6-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline (PubChem CID 158896821) has the molecular formula C119H97N31OS7 and a molecular weight of 2201.77 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-ylmethyl)-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;3-[(4-methylphenyl)methyl]-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;(4-methylpiperazin-1-yl)-[5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]methanone;2-methyl-6-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,3-benzothiazole;2-propyl-5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,3-thiazole;6-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline.

Molecular Properties

• Compound Name: 3-(2,3-dihydro-1H-inden-5-ylmethyl)-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;3-[(4-methylphenyl)methyl]-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;(4-methylpiperazin-1-yl)-[5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]methanone;2-methyl-6-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,3-benzothiazole;2-propyl-5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,3-thiazole;6-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline
• PubChem CID: 158896821
• Molecular Formula: C119H97N31OS7
• Molecular Weight: 2201.77 g/mol
• Exact Mass: 2199.65
• IUPAC Name: 3-(2,3-dihydro-1H-inden-5-ylmethyl)-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;3-[(4-methylphenyl)methyl]-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;(4-methylpiperazin-1-yl)-[5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]methanone;2-methyl-6-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,3-benzothiazole;2-propyl-5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,3-thiazole;6-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline
• SMILES: CCCc1ncc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)s1.CN1CCN(C(=O)c2ccc(-c3ccc4nnc(Cc5ccc6ncccc6c5)n4n3)s2)CC1.Cc1ccc(Cc2nnc3ccc(-c4cccs4)nn23)cc1.Cc1nc2ccc(Cc3nnc4ccc(-c5cccs5)nn34)cc2s1.c1csc(-c2ccc3nnc(Cc4ccc5c(c4)CCC5)n3n2)c1.c1csc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)c1
• InChI: InChI=1S/C25H23N7OS.C21H18N6S.C19H13N5S.C19H16N4S.C18H13N5S2.C17H14N4S/c1-30-11-13-31(14-12-30)25(33)22-8-7-21(34-22)20-6-9-23-27-28-24(32(23)29-20)16-17-4-5-19-18(15-17)3-2-10-26-19;1-2-4-21-23-13-18(28-21)17-8-9-19-24-25-20(27(19)26-17)12-14-6-7-16-15(11-14)5-3-10-22-16;1-3-14-11-13(5-6-15(14)20-9-1)12-19-22-21-18-8-7-16(23-24(18)19)17-4-2-10-25-17;1-3-14-7-6-13(11-15(14)4-1)12-19-21-20-18-9-8-16(22-23(18)19)17-5-2-10-24-17;1-11-19-13-5-4-12(9-16(13)25-11)10-18-21-20-17-7-6-14(22-23(17)18)15-3-2-8-24-15;1-12-4-6-13(7-5-12)11-17-19-18-16-9-8-14(20-21(16)17)15-3-2-10-22-15/h2-10,15H,11-14,16H2,1H3;3,5-11,13H,2,4,12H2,1H3;1-11H,12H2;2,5-11H,1,3-4,12H2;2-9H,10H2,1H3;2-10H,11H2,1H3
• InChIKey: JEXYWUYMODIXSN-UHFFFAOYSA-N
• XLogP: 23.76
• TPSA: 346.48 Ų
• H-Bond Acceptors: 38
• Rotatable Bonds: 21
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2201.77
LogP ≤ 5	23.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylmethyl)-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;3-[(4-methylphenyl)methyl]-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;(4-methylpiperazin-1-yl)-[5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]methanone;2-methyl-6-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,3-benzothiazole;2-propyl-5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,3-thiazole;6-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline?

The IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylmethyl)-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;3-[(4-methylphenyl)methyl]-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;(4-methylpiperazin-1-yl)-[5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]methanone;2-methyl-6-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,3-benzothiazole;2-propyl-5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,3-thiazole;6-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline (CID 158896821) is 3-(2,3-dihydro-1H-inden-5-ylmethyl)-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;3-[(4-methylphenyl)methyl]-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;(4-methylpiperazin-1-yl)-[5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]methanone;2-methyl-6-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,3-benzothiazole;2-propyl-5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,3-thiazole;6-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline.

What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-ylmethyl)-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;3-[(4-methylphenyl)methyl]-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;(4-methylpiperazin-1-yl)-[5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]methanone;2-methyl-6-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,3-benzothiazole;2-propyl-5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,3-thiazole;6-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline?

The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-ylmethyl)-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;3-[(4-methylphenyl)methyl]-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;(4-methylpiperazin-1-yl)-[5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]methanone;2-methyl-6-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,3-benzothiazole;2-propyl-5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,3-thiazole;6-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline is CCCc1ncc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)s1.CN1CCN(C(=O)c2ccc(-c3ccc4nnc(Cc5ccc6ncccc6c5)n4n3)s2)CC1.Cc1ccc(Cc2nnc3ccc(-c4cccs4)nn23)cc1.Cc1nc2ccc(Cc3nnc4ccc(-c5cccs5)nn34)cc2s1.c1csc(-c2ccc3nnc(Cc4ccc5c(c4)CCC5)n3n2)c1.c1csc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)c1.

What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-ylmethyl)-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;3-[(4-methylphenyl)methyl]-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;(4-methylpiperazin-1-yl)-[5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]methanone;2-methyl-6-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,3-benzothiazole;2-propyl-5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,3-thiazole;6-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline?

The InChIKey is JEXYWUYMODIXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7OS.C21H18N6S.C19H13N5S.C19H16N4S.C18H13N5S2.C17H14N4S/c1-30-11-13-31(14-12-30)25(33)22-8-7-21(34-22)20-6-9-23-27-28-24(32(23)29-20)16-17-4-5-19-18(15-17)3-2-10-26-19;1-2-4-21-23-13-18(28-21)17-8-9-19-24-25-20(27(19)26-17)12-14-6-7-16-15(11-14)5-3-10-22-16;1-3-14-11-13(5-6-15(14)20-9-1)12-19-22-21-18-8-7-16(23-24(18)19)17-4-2-10-25-17;1-3-14-7-6-13(11-15(14)4-1)12-19-21-20-18-9-8-16(22-23(18)19)17-5-2-10-24-17;1-11-19-13-5-4-12(9-16(13)25-11)10-18-21-20-17-7-6-14(22-23(17)18)15-3-2-8-24-15;1-12-4-6-13(7-5-12)11-17-19-18-16-9-8-14(20-21(16)17)15-3-2-10-22-15/h2-10,15H,11-14,16H2,1H3;3,5-11,13H,2,4,12H2,1H3;1-11H,12H2;2,5-11H,1,3-4,12H2;2-9H,10H2,1H3;2-10H,11H2,1H3.

What are the key properties of 3-(2,3-dihydro-1H-inden-5-ylmethyl)-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;3-[(4-methylphenyl)methyl]-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;(4-methylpiperazin-1-yl)-[5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]methanone;2-methyl-6-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,3-benzothiazole;2-propyl-5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,3-thiazole;6-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline?

3-(2,3-dihydro-1H-inden-5-ylmethyl)-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;3-[(4-methylphenyl)methyl]-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;(4-methylpiperazin-1-yl)-[5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]methanone;2-methyl-6-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,3-benzothiazole;2-propyl-5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,3-thiazole;6-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline has a molecular weight of 2201.77 g/mol, XLogP of 23.76, 21 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,3-dihydro-1H-inden-5-ylmethyl)-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;3-[(4-methylphenyl)methyl]-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;(4-methylpiperazin-1-yl)-[5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]methanone;2-methyl-6-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,3-benzothiazole;2-propyl-5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,3-thiazole;6-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline is sourced from PubChem (CID 158896821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).