5-amino-N-(1-benzylazetidin-3-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-methylidene-1-oxothiolan-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(pyridin-3-ylmethyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(furan-2-ylmethyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[(4-methoxyphenyl)methyl]azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-(1-methylidene-1-oxothiolan-3-yl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;5-amino-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(thiophen-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide

C129H142N38O12S11 — CID 161312259

About 5-amino-N-(1-benzylazetidin-3-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-methylidene-1-oxothiolan-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(pyridin-3-ylmethyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(furan-2-ylmethyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[(4-methoxyphenyl)methyl]azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-(1-methylidene-1-oxothiolan-3-yl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;5-amino-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(thiophen-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide

5-amino-N-(1-benzylazetidin-3-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-methylidene-1-oxothiolan-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(pyridin-3-ylmethyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(furan-2-ylmethyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[(4-methoxyphenyl)methyl]azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-(1-methylidene-1-oxothiolan-3-yl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;5-amino-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(thiophen-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 161312259) has the molecular formula C129H142N38O12S11 and a molecular weight of 2769.55 g/mol. Its IUPAC name is 5-amino-N-(1-benzylazetidin-3-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-methylidene-1-oxothiolan-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(pyridin-3-ylmethyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(furan-2-ylmethyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[(4-methoxyphenyl)methyl]azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-(1-methylidene-1-oxothiolan-3-yl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;5-amino-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(thiophen-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

• Compound Name: 5-amino-N-(1-benzylazetidin-3-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-methylidene-1-oxothiolan-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(pyridin-3-ylmethyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(furan-2-ylmethyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[(4-methoxyphenyl)methyl]azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-(1-methylidene-1-oxothiolan-3-yl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;5-amino-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(thiophen-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide
• PubChem CID: 161312259
• Molecular Formula: C129H142N38O12S11
• Molecular Weight: 2769.55 g/mol
• Exact Mass: 2766.86
• IUPAC Name: 5-amino-N-(1-benzylazetidin-3-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-methylidene-1-oxothiolan-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(pyridin-3-ylmethyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(furan-2-ylmethyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[(4-methoxyphenyl)methyl]azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-(1-methylidene-1-oxothiolan-3-yl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;5-amino-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(thiophen-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide
• SMILES: C=S1(=O)CCC(NC(=O)c2sc3nnc(C)c(C)c3c2N)C1.C=S1(=O)CCC(NC(=O)c2sc3nnc4c(c3c2N)CCCC4)C1.COc1ccc(CN2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)cc1.Cc1nnc2sc(C(=O)NC3CN(Cc4ccccc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CN(Cc4cccnc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CN(Cc4ccco4)C3)c(N)c2c1C.Nc1c(C(=O)NCc2cccs2)sc2nnccc12.Nc1c(C(=O)NCc2ccncc2)sc2nnccc12
• InChI: InChI=1S/C20H23N5O2S.C19H21N5OS.C18H20N6OS.C17H19N5O2S.C16H20N4O2S2.C14H18N4O2S2.C13H11N5OS.C12H10N4OS2/c1-11-12(2)23-24-20-16(11)17(21)18(28-20)19(26)22-14-9-25(10-14)8-13-4-6-15(27-3)7-5-13;1-11-12(2)22-23-19-15(11)16(20)17(26-19)18(25)21-14-9-24(10-14)8-13-6-4-3-5-7-13;1-10-11(2)22-23-18-14(10)15(19)16(26-18)17(25)21-13-8-24(9-13)7-12-4-3-5-20-6-12;1-9-10(2)20-21-17-13(9)14(18)15(25-17)16(23)19-11-6-22(7-11)8-12-4-3-5-24-12;1-24(22)7-6-9(8-24)18-15(21)14-13(17)12-10-4-2-3-5-11(10)19-20-16(12)23-14;1-7-8(2)17-18-14-10(7)11(15)12(21-14)13(19)16-9-4-5-22(3,20)6-9;14-10-9-3-6-17-18-13(9)20-11(10)12(19)16-7-8-1-4-15-5-2-8;13-9-8-3-4-15-16-12(8)19-10(9)11(17)14-6-7-2-1-5-18-7/h4-7,14H,8-10,21H2,1-3H3,(H,22,26);3-7,14H,8-10,20H2,1-2H3,(H,21,25);3-6,13H,7-9,19H2,1-2H3,(H,21,25);3-5,11H,6-8,18H2,1-2H3,(H,19,23);9H,1-8,17H2,(H,18,21);9H,3-6,15H2,1-2H3,(H,16,19);1-6H,7,14H2,(H,16,19);1-5H,6,13H2,(H,14,17)
• InChIKey: VJAWFMKXOROKSM-UHFFFAOYSA-N
• XLogP: 15.36
• TPSA: 742.45 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 51
• Rotatable Bonds: 27
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2769.55
LogP ≤ 5	15.36
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	51

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1-benzylazetidin-3-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-methylidene-1-oxothiolan-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(pyridin-3-ylmethyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(furan-2-ylmethyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[(4-methoxyphenyl)methyl]azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-(1-methylidene-1-oxothiolan-3-yl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;5-amino-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(thiophen-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide?

The IUPAC name of 5-amino-N-(1-benzylazetidin-3-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-methylidene-1-oxothiolan-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(pyridin-3-ylmethyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(furan-2-ylmethyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[(4-methoxyphenyl)methyl]azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-(1-methylidene-1-oxothiolan-3-yl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;5-amino-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(thiophen-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide (CID 161312259) is 5-amino-N-(1-benzylazetidin-3-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-methylidene-1-oxothiolan-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(pyridin-3-ylmethyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(furan-2-ylmethyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[(4-methoxyphenyl)methyl]azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-(1-methylidene-1-oxothiolan-3-yl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;5-amino-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(thiophen-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide.

What is the SMILES notation for 5-amino-N-(1-benzylazetidin-3-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-methylidene-1-oxothiolan-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(pyridin-3-ylmethyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(furan-2-ylmethyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[(4-methoxyphenyl)methyl]azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-(1-methylidene-1-oxothiolan-3-yl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;5-amino-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(thiophen-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide?

The canonical SMILES for 5-amino-N-(1-benzylazetidin-3-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-methylidene-1-oxothiolan-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(pyridin-3-ylmethyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(furan-2-ylmethyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[(4-methoxyphenyl)methyl]azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-(1-methylidene-1-oxothiolan-3-yl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;5-amino-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(thiophen-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide is C=S1(=O)CCC(NC(=O)c2sc3nnc(C)c(C)c3c2N)C1.C=S1(=O)CCC(NC(=O)c2sc3nnc4c(c3c2N)CCCC4)C1.COc1ccc(CN2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)cc1.Cc1nnc2sc(C(=O)NC3CN(Cc4ccccc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CN(Cc4cccnc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CN(Cc4ccco4)C3)c(N)c2c1C.Nc1c(C(=O)NCc2cccs2)sc2nnccc12.Nc1c(C(=O)NCc2ccncc2)sc2nnccc12.

What is the InChIKey of 5-amino-N-(1-benzylazetidin-3-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-methylidene-1-oxothiolan-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(pyridin-3-ylmethyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(furan-2-ylmethyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[(4-methoxyphenyl)methyl]azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-(1-methylidene-1-oxothiolan-3-yl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;5-amino-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(thiophen-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide?

The InChIKey is VJAWFMKXOROKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2S.C19H21N5OS.C18H20N6OS.C17H19N5O2S.C16H20N4O2S2.C14H18N4O2S2.C13H11N5OS.C12H10N4OS2/c1-11-12(2)23-24-20-16(11)17(21)18(28-20)19(26)22-14-9-25(10-14)8-13-4-6-15(27-3)7-5-13;1-11-12(2)22-23-19-15(11)16(20)17(26-19)18(25)21-14-9-24(10-14)8-13-6-4-3-5-7-13;1-10-11(2)22-23-18-14(10)15(19)16(26-18)17(25)21-13-8-24(9-13)7-12-4-3-5-20-6-12;1-9-10(2)20-21-17-13(9)14(18)15(25-17)16(23)19-11-6-22(7-11)8-12-4-3-5-24-12;1-24(22)7-6-9(8-24)18-15(21)14-13(17)12-10-4-2-3-5-11(10)19-20-16(12)23-14;1-7-8(2)17-18-14-10(7)11(15)12(21-14)13(19)16-9-4-5-22(3,20)6-9;14-10-9-3-6-17-18-13(9)20-11(10)12(19)16-7-8-1-4-15-5-2-8;13-9-8-3-4-15-16-12(8)19-10(9)11(17)14-6-7-2-1-5-18-7/h4-7,14H,8-10,21H2,1-3H3,(H,22,26);3-7,14H,8-10,20H2,1-2H3,(H,21,25);3-6,13H,7-9,19H2,1-2H3,(H,21,25);3-5,11H,6-8,18H2,1-2H3,(H,19,23);9H,1-8,17H2,(H,18,21);9H,3-6,15H2,1-2H3,(H,16,19);1-6H,7,14H2,(H,16,19);1-5H,6,13H2,(H,14,17).

What are the key properties of 5-amino-N-(1-benzylazetidin-3-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-methylidene-1-oxothiolan-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(pyridin-3-ylmethyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(furan-2-ylmethyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[(4-methoxyphenyl)methyl]azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-(1-methylidene-1-oxothiolan-3-yl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;5-amino-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(thiophen-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide?

5-amino-N-(1-benzylazetidin-3-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-methylidene-1-oxothiolan-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(pyridin-3-ylmethyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(furan-2-ylmethyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[(4-methoxyphenyl)methyl]azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-(1-methylidene-1-oxothiolan-3-yl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;5-amino-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(thiophen-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 2769.55 g/mol, XLogP of 15.36, 27 rotatable bonds, 16 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-N-(1-benzylazetidin-3-yl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-methylidene-1-oxothiolan-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(pyridin-3-ylmethyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(furan-2-ylmethyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[(4-methoxyphenyl)methyl]azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-(1-methylidene-1-oxothiolan-3-yl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;5-amino-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(thiophen-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 161312259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).