3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(3-cyclopentylprop-1-ynyl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-ethylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(4-methylpent-1-ynyl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-pent-1-ynylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(2-phenylethynyl)pyrazine-2-carboxamide

C119H112Cl5N45O5 — CID 157182966

About 3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(3-cyclopentylprop-1-ynyl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-ethylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(4-methylpent-1-ynyl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-pent-1-ynylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(2-phenylethynyl)pyrazine-2-carboxamide

3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(3-cyclopentylprop-1-ynyl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-ethylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(4-methylpent-1-ynyl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-pent-1-ynylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(2-phenylethynyl)pyrazine-2-carboxamide (PubChem CID 157182966) has the molecular formula C119H112Cl5N45O5 and a molecular weight of 2429.78 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-(3-cyclopentylprop-1-ynyl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-ethylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(4-methylpent-1-ynyl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-pent-1-ynylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(2-phenylethynyl)pyrazine-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-(3-cyclopentylprop-1-ynyl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-ethylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(4-methylpent-1-ynyl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-pent-1-ynylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(2-phenylethynyl)pyrazine-2-carboxamide
• PubChem CID: 157182966
• Molecular Formula: C119H112Cl5N45O5
• Molecular Weight: 2429.78 g/mol
• Exact Mass: 2425.83
• IUPAC Name: 3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(3-cyclopentylprop-1-ynyl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-ethylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(4-methylpent-1-ynyl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-pent-1-ynylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(2-phenylethynyl)pyrazine-2-carboxamide
• SMILES: CC(C)CC#Cc1cnc(N)c(C(=O)N[C@H](C)c2nnc3ccc(Nc4cccc(Cl)c4)nn23)n1.CCCC#Cc1cnc(N)c(C(=O)N[C@H](C)c2nnc3ccc(Nc4cccc(Cl)c4)nn23)n1.CCc1cnc(N)c(C(=O)N[C@H](C)c2nnc3ccc(Nc4cccc(Cl)c4)nn23)n1.C[C@@H](NC(=O)c1nc(C#CCC2CCCC2)cnc1N)c1nnc2ccc(Nc3cccc(Cl)c3)nn12.C[C@@H](NC(=O)c1nc(C#Cc2ccccc2)cnc1N)c1nnc2ccc(Nc3cccc(Cl)c3)nn12
• InChI: InChI=1S/C26H26ClN9O.C26H20ClN9O.C24H24ClN9O.C23H22ClN9O.C20H20ClN9O/c1-16(25-34-33-22-13-12-21(35-36(22)25)31-19-10-5-9-18(27)14-19)30-26(37)23-24(28)29-15-20(32-23)11-4-8-17-6-2-3-7-17;1-16(25-34-33-22-13-12-21(35-36(22)25)31-19-9-5-8-18(27)14-19)30-26(37)23-24(28)29-15-20(32-23)11-10-17-6-3-2-4-7-17;1-14(2)6-4-9-18-13-27-22(26)21(30-18)24(35)28-15(3)23-32-31-20-11-10-19(33-34(20)23)29-17-8-5-7-16(25)12-17;1-3-4-5-8-17-13-26-21(25)20(29-17)23(34)27-14(2)22-31-30-19-11-10-18(32-33(19)22)28-16-9-6-7-15(24)12-16;1-3-13-10-23-18(22)17(26-13)20(31)24-11(2)19-28-27-16-8-7-15(29-30(16)19)25-14-6-4-5-12(21)9-14/h5,9-10,12-17H,2-3,6-8H2,1H3,(H2,28,29)(H,30,37)(H,31,35);2-9,12-16H,1H3,(H2,28,29)(H,30,37)(H,31,35);5,7-8,10-15H,6H2,1-3H3,(H2,26,27)(H,28,35)(H,29,33);6-7,9-14H,3-4H2,1-2H3,(H2,25,26)(H,27,34)(H,28,32);4-11H,3H2,1-2H3,(H2,22,23)(H,24,31)(H,25,29)/t2*16-;15-;14-;11-/m11111/s1
• InChIKey: AOTXDIMKLJHCSY-FCRSBNKPSA-N
• XLogP: 18.37
• TPSA: 680.05 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 45
• Rotatable Bonds: 29
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2429.78
LogP ≤ 5	18.37
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

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

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-(3-cyclopentylprop-1-ynyl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-ethylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(4-methylpent-1-ynyl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-pent-1-ynylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(2-phenylethynyl)pyrazine-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-(3-cyclopentylprop-1-ynyl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-ethylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(4-methylpent-1-ynyl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-pent-1-ynylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(2-phenylethynyl)pyrazine-2-carboxamide (CID 157182966) is 3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(3-cyclopentylprop-1-ynyl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-ethylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(4-methylpent-1-ynyl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-pent-1-ynylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(2-phenylethynyl)pyrazine-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-(3-cyclopentylprop-1-ynyl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-ethylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(4-methylpent-1-ynyl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-pent-1-ynylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(2-phenylethynyl)pyrazine-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-(3-cyclopentylprop-1-ynyl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-ethylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(4-methylpent-1-ynyl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-pent-1-ynylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(2-phenylethynyl)pyrazine-2-carboxamide is CC(C)CC#Cc1cnc(N)c(C(=O)N[C@H](C)c2nnc3ccc(Nc4cccc(Cl)c4)nn23)n1.CCCC#Cc1cnc(N)c(C(=O)N[C@H](C)c2nnc3ccc(Nc4cccc(Cl)c4)nn23)n1.CCc1cnc(N)c(C(=O)N[C@H](C)c2nnc3ccc(Nc4cccc(Cl)c4)nn23)n1.C[C@@H](NC(=O)c1nc(C#CCC2CCCC2)cnc1N)c1nnc2ccc(Nc3cccc(Cl)c3)nn12.C[C@@H](NC(=O)c1nc(C#Cc2ccccc2)cnc1N)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-(3-cyclopentylprop-1-ynyl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-ethylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(4-methylpent-1-ynyl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-pent-1-ynylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(2-phenylethynyl)pyrazine-2-carboxamide?

The InChIKey is AOTXDIMKLJHCSY-FCRSBNKPSA-N. The full InChI is InChI=1S/C26H26ClN9O.C26H20ClN9O.C24H24ClN9O.C23H22ClN9O.C20H20ClN9O/c1-16(25-34-33-22-13-12-21(35-36(22)25)31-19-10-5-9-18(27)14-19)30-26(37)23-24(28)29-15-20(32-23)11-4-8-17-6-2-3-7-17;1-16(25-34-33-22-13-12-21(35-36(22)25)31-19-9-5-8-18(27)14-19)30-26(37)23-24(28)29-15-20(32-23)11-10-17-6-3-2-4-7-17;1-14(2)6-4-9-18-13-27-22(26)21(30-18)24(35)28-15(3)23-32-31-20-11-10-19(33-34(20)23)29-17-8-5-7-16(25)12-17;1-3-4-5-8-17-13-26-21(25)20(29-17)23(34)27-14(2)22-31-30-19-11-10-18(32-33(19)22)28-16-9-6-7-15(24)12-16;1-3-13-10-23-18(22)17(26-13)20(31)24-11(2)19-28-27-16-8-7-15(29-30(16)19)25-14-6-4-5-12(21)9-14/h5,9-10,12-17H,2-3,6-8H2,1H3,(H2,28,29)(H,30,37)(H,31,35);2-9,12-16H,1H3,(H2,28,29)(H,30,37)(H,31,35);5,7-8,10-15H,6H2,1-3H3,(H2,26,27)(H,28,35)(H,29,33);6-7,9-14H,3-4H2,1-2H3,(H2,25,26)(H,27,34)(H,28,32);4-11H,3H2,1-2H3,(H2,22,23)(H,24,31)(H,25,29)/t2*16-;15-;14-;11-/m11111/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-(3-cyclopentylprop-1-ynyl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-ethylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(4-methylpent-1-ynyl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-pent-1-ynylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(2-phenylethynyl)pyrazine-2-carboxamide?

3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(3-cyclopentylprop-1-ynyl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-ethylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(4-methylpent-1-ynyl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-pent-1-ynylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(2-phenylethynyl)pyrazine-2-carboxamide has a molecular weight of 2429.78 g/mol, XLogP of 18.37, 29 rotatable bonds, 15 hydrogen bond donors, and 45 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-(3-cyclopentylprop-1-ynyl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-ethylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(4-methylpent-1-ynyl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-pent-1-ynylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(2-phenylethynyl)pyrazine-2-carboxamide is sourced from PubChem (CID 157182966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).