3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]pyrazine-2-carboxamide;2-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]pyridine-3-carboxamide;N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]pyridine-3-carboxamide;N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]quinoxaline-2-carboxamide;N-[[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-N-methylpyridine-3-carboxamide

C97H82Cl5N39O5 — CID 159000176

About 3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]pyrazine-2-carboxamide;2-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]pyridine-3-carboxamide;N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]pyridine-3-carboxamide;N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]quinoxaline-2-carboxamide;N-[[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-N-methylpyridine-3-carboxamide

3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]pyrazine-2-carboxamide;2-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]pyridine-3-carboxamide;N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]pyridine-3-carboxamide;N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]quinoxaline-2-carboxamide;N-[[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-N-methylpyridine-3-carboxamide (PubChem CID 159000176) has the molecular formula C97H82Cl5N39O5 and a molecular weight of 2051.26 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]pyrazine-2-carboxamide;2-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]pyridine-3-carboxamide;N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]pyridine-3-carboxamide;N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]quinoxaline-2-carboxamide;N-[[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]pyrazine-2-carboxamide;2-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]pyridine-3-carboxamide;N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]pyridine-3-carboxamide;N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]quinoxaline-2-carboxamide;N-[[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-N-methylpyridine-3-carboxamide
• PubChem CID: 159000176
• Molecular Formula: C97H82Cl5N39O5
• Molecular Weight: 2051.26 g/mol
• Exact Mass: 2047.58
• IUPAC Name: 3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]pyrazine-2-carboxamide;2-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]pyridine-3-carboxamide;N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]pyridine-3-carboxamide;N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]quinoxaline-2-carboxamide;N-[[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-N-methylpyridine-3-carboxamide
• SMILES: CN(Cc1nnc2ccc(Nc3cccc(Cl)c3)nn12)C(=O)c1cccnc1.C[C@@H](NC(=O)c1cccnc1)c1nnc2ccc(Nc3cccc(Cl)c3)nn12.C[C@@H](NC(=O)c1cccnc1N)c1nnc2ccc(Nc3cccc(Cl)c3)nn12.C[C@@H](NC(=O)c1cnc2ccccc2n1)c1nnc2ccc(Nc3cccc(Cl)c3)nn12.C[C@@H](NC(=O)c1nccnc1N)c1nnc2ccc(Nc3cccc(Cl)c3)nn12
• InChI: InChI=1S/C22H17ClN8O.C19H17ClN8O.2C19H16ClN7O.C18H16ClN9O/c1-13(25-22(32)18-12-24-16-7-2-3-8-17(16)27-18)21-29-28-20-10-9-19(30-31(20)21)26-15-6-4-5-14(23)11-15;1-11(23-19(29)14-6-3-9-22-17(14)21)18-26-25-16-8-7-15(27-28(16)18)24-13-5-2-4-12(20)10-13;1-26(19(28)13-4-3-9-21-11-13)12-18-24-23-17-8-7-16(25-27(17)18)22-15-6-2-5-14(20)10-15;1-12(22-19(28)13-4-3-9-21-11-13)18-25-24-17-8-7-16(26-27(17)18)23-15-6-2-5-14(20)10-15;1-10(23-18(29)15-16(20)22-8-7-21-15)17-26-25-14-6-5-13(27-28(14)17)24-12-4-2-3-11(19)9-12/h2-13H,1H3,(H,25,32)(H,26,30);2-11H,1H3,(H2,21,22)(H,23,29)(H,24,27);2-11H,12H2,1H3,(H,22,25);2-12H,1H3,(H,22,28)(H,23,26);2-10H,1H3,(H2,20,22)(H,23,29)(H,24,27)/t13-;11-;;12-;10-/m11.11/s1
• InChIKey: JRGAQWFLXFSNGA-IXFPOBDDSA-N
• XLogP: 15.93
• TPSA: 554.53 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 39
• Rotatable Bonds: 25
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2051.26
LogP ≤ 5	15.93
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	39

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]pyrazine-2-carboxamide;2-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]pyridine-3-carboxamide;N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]pyridine-3-carboxamide;N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]quinoxaline-2-carboxamide;N-[[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-N-methylpyridine-3-carboxamide?

The IUPAC name of 3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]pyrazine-2-carboxamide;2-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]pyridine-3-carboxamide;N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]pyridine-3-carboxamide;N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]quinoxaline-2-carboxamide;N-[[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-N-methylpyridine-3-carboxamide (CID 159000176) is 3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]pyrazine-2-carboxamide;2-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]pyridine-3-carboxamide;N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]pyridine-3-carboxamide;N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]quinoxaline-2-carboxamide;N-[[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-N-methylpyridine-3-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]pyrazine-2-carboxamide;2-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]pyridine-3-carboxamide;N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]pyridine-3-carboxamide;N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]quinoxaline-2-carboxamide;N-[[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-N-methylpyridine-3-carboxamide?

The canonical SMILES for 3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]pyrazine-2-carboxamide;2-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]pyridine-3-carboxamide;N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]pyridine-3-carboxamide;N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]quinoxaline-2-carboxamide;N-[[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-N-methylpyridine-3-carboxamide is CN(Cc1nnc2ccc(Nc3cccc(Cl)c3)nn12)C(=O)c1cccnc1.C[C@@H](NC(=O)c1cccnc1)c1nnc2ccc(Nc3cccc(Cl)c3)nn12.C[C@@H](NC(=O)c1cccnc1N)c1nnc2ccc(Nc3cccc(Cl)c3)nn12.C[C@@H](NC(=O)c1cnc2ccccc2n1)c1nnc2ccc(Nc3cccc(Cl)c3)nn12.C[C@@H](NC(=O)c1nccnc1N)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]pyrazine-2-carboxamide;2-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]pyridine-3-carboxamide;N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]pyridine-3-carboxamide;N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]quinoxaline-2-carboxamide;N-[[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-N-methylpyridine-3-carboxamide?

The InChIKey is JRGAQWFLXFSNGA-IXFPOBDDSA-N. The full InChI is InChI=1S/C22H17ClN8O.C19H17ClN8O.2C19H16ClN7O.C18H16ClN9O/c1-13(25-22(32)18-12-24-16-7-2-3-8-17(16)27-18)21-29-28-20-10-9-19(30-31(20)21)26-15-6-4-5-14(23)11-15;1-11(23-19(29)14-6-3-9-22-17(14)21)18-26-25-16-8-7-15(27-28(16)18)24-13-5-2-4-12(20)10-13;1-26(19(28)13-4-3-9-21-11-13)12-18-24-23-17-8-7-16(25-27(17)18)22-15-6-2-5-14(20)10-15;1-12(22-19(28)13-4-3-9-21-11-13)18-25-24-17-8-7-16(26-27(17)18)23-15-6-2-5-14(20)10-15;1-10(23-18(29)15-16(20)22-8-7-21-15)17-26-25-14-6-5-13(27-28(14)17)24-12-4-2-3-11(19)9-12/h2-13H,1H3,(H,25,32)(H,26,30);2-11H,1H3,(H2,21,22)(H,23,29)(H,24,27);2-11H,12H2,1H3,(H,22,25);2-12H,1H3,(H,22,28)(H,23,26);2-10H,1H3,(H2,20,22)(H,23,29)(H,24,27)/t13-;11-;;12-;10-/m11.11/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]pyrazine-2-carboxamide;2-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]pyridine-3-carboxamide;N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]pyridine-3-carboxamide;N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]quinoxaline-2-carboxamide;N-[[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-N-methylpyridine-3-carboxamide?

3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]pyrazine-2-carboxamide;2-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]pyridine-3-carboxamide;N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]pyridine-3-carboxamide;N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]quinoxaline-2-carboxamide;N-[[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-N-methylpyridine-3-carboxamide has a molecular weight of 2051.26 g/mol, XLogP of 15.93, 25 rotatable bonds, 11 hydrogen bond donors, and 39 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]pyrazine-2-carboxamide;2-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]pyridine-3-carboxamide;N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]pyridine-3-carboxamide;N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]quinoxaline-2-carboxamide;N-[[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 159000176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).