5-amino-N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-benzyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide

C101H102F2N24O9S6 — CID 161438555

About 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-benzyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide

5-amino-N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-benzyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 161438555) has the molecular formula C101H102F2N24O9S6 and a molecular weight of 2026.48 g/mol. Its IUPAC name is 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-benzyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

• Compound Name: 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-benzyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
• PubChem CID: 161438555
• Molecular Formula: C101H102F2N24O9S6
• Molecular Weight: 2026.48 g/mol
• Exact Mass: 2024.66
• IUPAC Name: 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-benzyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
• SMILES: COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.Cc1ccc(F)c(CNC(=O)c2sc3nnc(C)c(C)c3c2N)c1.Cc1cccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)c1.Cc1cccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)c1F.Cc1nnc2sc(C(=O)NCc3ccc4c(c3)OCO4)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccccc3)c(N)c2c1C
• InChI: InChI=1S/2C17H17FN4OS.C17H16N4O3S.C17H18N4O2S.C17H18N4OS.C16H16N4OS/c1-8-4-5-12(18)11(6-8)7-20-16(23)15-14(19)13-9(2)10(3)21-22-17(13)24-15;1-8-5-4-6-11(13(8)18)7-20-16(23)15-14(19)12-9(2)10(3)21-22-17(12)24-15;1-8-9(2)20-21-17-13(8)14(18)15(25-17)16(22)19-6-10-3-4-11-12(5-10)24-7-23-11;1-9-10(2)20-21-17-13(9)14(18)15(24-17)16(22)19-8-11-4-6-12(23-3)7-5-11;1-9-5-4-6-12(7-9)8-19-16(22)15-14(18)13-10(2)11(3)20-21-17(13)23-15;1-9-10(2)19-20-16-12(9)13(17)14(22-16)15(21)18-8-11-6-4-3-5-7-11/h2*4-6H,7,19H2,1-3H3,(H,20,23);3-5H,6-7,18H2,1-2H3,(H,19,22);4-7H,8,18H2,1-3H3,(H,19,22);4-7H,8,18H2,1-3H3,(H,19,22);3-7H,8,17H2,1-2H3,(H,18,21)
• InChIKey: VYYUCIVGMUZNEO-UHFFFAOYSA-N
• XLogP: 17.86
• TPSA: 513.09 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 33
• Rotatable Bonds: 19
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2026.48
LogP ≤ 5	17.86
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-benzyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

The IUPAC name of 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-benzyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (CID 161438555) is 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-benzyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide.

What is the SMILES notation for 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-benzyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

The canonical SMILES for 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-benzyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide is COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.Cc1ccc(F)c(CNC(=O)c2sc3nnc(C)c(C)c3c2N)c1.Cc1cccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)c1.Cc1cccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)c1F.Cc1nnc2sc(C(=O)NCc3ccc4c(c3)OCO4)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccccc3)c(N)c2c1C.

What is the InChIKey of 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-benzyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

The InChIKey is VYYUCIVGMUZNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H17FN4OS.C17H16N4O3S.C17H18N4O2S.C17H18N4OS.C16H16N4OS/c1-8-4-5-12(18)11(6-8)7-20-16(23)15-14(19)13-9(2)10(3)21-22-17(13)24-15;1-8-5-4-6-11(13(8)18)7-20-16(23)15-14(19)12-9(2)10(3)21-22-17(12)24-15;1-8-9(2)20-21-17-13(8)14(18)15(25-17)16(22)19-6-10-3-4-11-12(5-10)24-7-23-11;1-9-10(2)20-21-17-13(9)14(18)15(24-17)16(22)19-8-11-4-6-12(23-3)7-5-11;1-9-5-4-6-12(7-9)8-19-16(22)15-14(18)13-10(2)11(3)20-21-17(13)23-15;1-9-10(2)19-20-16-12(9)13(17)14(22-16)15(21)18-8-11-6-4-3-5-7-11/h2*4-6H,7,19H2,1-3H3,(H,20,23);3-5H,6-7,18H2,1-2H3,(H,19,22);4-7H,8,18H2,1-3H3,(H,19,22);4-7H,8,18H2,1-3H3,(H,19,22);3-7H,8,17H2,1-2H3,(H,18,21).

What are the key properties of 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-benzyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

5-amino-N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-benzyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 2026.48 g/mol, XLogP of 17.86, 19 rotatable bonds, 12 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-benzyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 161438555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).