3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(furan-3-yl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-thiophen-2-ylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-thiophen-3-ylpyrazine-2-carboxamide;3-amino-N-[(1S)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-2-hydroxyethyl]-6-phenylpyrazine-2-carboxamide

C90H74Cl4N36O6S2 — CID 158013396

About 3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(furan-3-yl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-thiophen-2-ylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-thiophen-3-ylpyrazine-2-carboxamide;3-amino-N-[(1S)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-2-hydroxyethyl]-6-phenylpyrazine-2-carboxamide

3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(furan-3-yl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-thiophen-2-ylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-thiophen-3-ylpyrazine-2-carboxamide;3-amino-N-[(1S)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-2-hydroxyethyl]-6-phenylpyrazine-2-carboxamide (PubChem CID 158013396) has the molecular formula C90H74Cl4N36O6S2 and a molecular weight of 1961.77 g/mol. Its IUPAC name is 3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(furan-3-yl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-thiophen-2-ylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-thiophen-3-ylpyrazine-2-carboxamide;3-amino-N-[(1S)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-2-hydroxyethyl]-6-phenylpyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(furan-3-yl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-thiophen-2-ylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-thiophen-3-ylpyrazine-2-carboxamide;3-amino-N-[(1S)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-2-hydroxyethyl]-6-phenylpyrazine-2-carboxamide
• PubChem CID: 158013396
• Molecular Formula: C90H74Cl4N36O6S2
• Molecular Weight: 1961.77 g/mol
• Exact Mass: 1958.48
• IUPAC Name: 3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(furan-3-yl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-thiophen-2-ylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-thiophen-3-ylpyrazine-2-carboxamide;3-amino-N-[(1S)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-2-hydroxyethyl]-6-phenylpyrazine-2-carboxamide
• SMILES: C[C@@H](NC(=O)c1nc(-c2cccs2)cnc1N)c1nnc2ccc(Nc3cccc(Cl)c3)nn12.C[C@@H](NC(=O)c1nc(-c2ccoc2)cnc1N)c1nnc2ccc(Nc3cccc(Cl)c3)nn12.C[C@@H](NC(=O)c1nc(-c2ccsc2)cnc1N)c1nnc2ccc(Nc3cccc(Cl)c3)nn12.Nc1ncc(-c2ccccc2)nc1C(=O)N[C@H](CO)c1nnc2ccc(Nc3cccc(Cl)c3)nn12
• InChI: InChI=1S/C24H20ClN9O2.C22H18ClN9O2.2C22H18ClN9OS/c25-15-7-4-8-16(11-15)28-19-9-10-20-31-32-23(34(20)33-19)18(13-35)30-24(36)21-22(26)27-12-17(29-21)14-5-2-1-3-6-14;1-12(26-22(33)19-20(24)25-10-16(28-19)13-7-8-34-11-13)21-30-29-18-6-5-17(31-32(18)21)27-15-4-2-3-14(23)9-15;1-12(26-22(33)19-20(24)25-11-15(28-19)16-6-3-9-34-16)21-30-29-18-8-7-17(31-32(18)21)27-14-5-2-4-13(23)10-14;1-12(26-22(33)19-20(24)25-10-16(28-19)13-7-8-34-11-13)21-30-29-18-6-5-17(31-32(18)21)27-15-4-2-3-14(23)9-15/h1-12,18,35H,13H2,(H2,26,27)(H,28,33)(H,30,36);3*2-12H,1H3,(H2,24,25)(H,26,33)(H,27,31)/t18-;3*12-/m1111/s1
• InChIKey: FFEADXULIADXKI-YXKMZMNESA-N
• XLogP: 14.89
• TPSA: 577.41 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 40
• Rotatable Bonds: 25
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1961.77
LogP ≤ 5	14.89
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(furan-3-yl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-thiophen-2-ylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-thiophen-3-ylpyrazine-2-carboxamide;3-amino-N-[(1S)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-2-hydroxyethyl]-6-phenylpyrazine-2-carboxamide?

The IUPAC name of 3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(furan-3-yl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-thiophen-2-ylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-thiophen-3-ylpyrazine-2-carboxamide;3-amino-N-[(1S)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-2-hydroxyethyl]-6-phenylpyrazine-2-carboxamide (CID 158013396) is 3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(furan-3-yl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-thiophen-2-ylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-thiophen-3-ylpyrazine-2-carboxamide;3-amino-N-[(1S)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-2-hydroxyethyl]-6-phenylpyrazine-2-carboxamide.

What is the SMILES notation for 3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(furan-3-yl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-thiophen-2-ylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-thiophen-3-ylpyrazine-2-carboxamide;3-amino-N-[(1S)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-2-hydroxyethyl]-6-phenylpyrazine-2-carboxamide?

The canonical SMILES for 3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(furan-3-yl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-thiophen-2-ylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-thiophen-3-ylpyrazine-2-carboxamide;3-amino-N-[(1S)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-2-hydroxyethyl]-6-phenylpyrazine-2-carboxamide is C[C@@H](NC(=O)c1nc(-c2cccs2)cnc1N)c1nnc2ccc(Nc3cccc(Cl)c3)nn12.C[C@@H](NC(=O)c1nc(-c2ccoc2)cnc1N)c1nnc2ccc(Nc3cccc(Cl)c3)nn12.C[C@@H](NC(=O)c1nc(-c2ccsc2)cnc1N)c1nnc2ccc(Nc3cccc(Cl)c3)nn12.Nc1ncc(-c2ccccc2)nc1C(=O)N[C@H](CO)c1nnc2ccc(Nc3cccc(Cl)c3)nn12.

What is the InChIKey of 3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(furan-3-yl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-thiophen-2-ylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-thiophen-3-ylpyrazine-2-carboxamide;3-amino-N-[(1S)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-2-hydroxyethyl]-6-phenylpyrazine-2-carboxamide?

The InChIKey is FFEADXULIADXKI-YXKMZMNESA-N. The full InChI is InChI=1S/C24H20ClN9O2.C22H18ClN9O2.2C22H18ClN9OS/c25-15-7-4-8-16(11-15)28-19-9-10-20-31-32-23(34(20)33-19)18(13-35)30-24(36)21-22(26)27-12-17(29-21)14-5-2-1-3-6-14;1-12(26-22(33)19-20(24)25-10-16(28-19)13-7-8-34-11-13)21-30-29-18-6-5-17(31-32(18)21)27-15-4-2-3-14(23)9-15;1-12(26-22(33)19-20(24)25-11-15(28-19)16-6-3-9-34-16)21-30-29-18-8-7-17(31-32(18)21)27-14-5-2-4-13(23)10-14;1-12(26-22(33)19-20(24)25-10-16(28-19)13-7-8-34-11-13)21-30-29-18-6-5-17(31-32(18)21)27-15-4-2-3-14(23)9-15/h1-12,18,35H,13H2,(H2,26,27)(H,28,33)(H,30,36);3*2-12H,1H3,(H2,24,25)(H,26,33)(H,27,31)/t18-;3*12-/m1111/s1.

What are the key properties of 3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(furan-3-yl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-thiophen-2-ylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-thiophen-3-ylpyrazine-2-carboxamide;3-amino-N-[(1S)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-2-hydroxyethyl]-6-phenylpyrazine-2-carboxamide?

3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(furan-3-yl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-thiophen-2-ylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-thiophen-3-ylpyrazine-2-carboxamide;3-amino-N-[(1S)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-2-hydroxyethyl]-6-phenylpyrazine-2-carboxamide has a molecular weight of 1961.77 g/mol, XLogP of 14.89, 25 rotatable bonds, 13 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(furan-3-yl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-thiophen-2-ylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-thiophen-3-ylpyrazine-2-carboxamide;3-amino-N-[(1S)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-2-hydroxyethyl]-6-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 158013396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).