3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(4-hydroxybut-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-[2-(1-hydroxycyclopentyl)ethynyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(3-hydroxypent-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-(3-hydroxyprop-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-pyridin-4-ylpyrazine-2-carboxamide;methane

C119H123Cl5N46O9 — CID 159166922

About 3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(4-hydroxybut-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-[2-(1-hydroxycyclopentyl)ethynyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(3-hydroxypent-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-(3-hydroxyprop-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-pyridin-4-ylpyrazine-2-carboxamide;methane

3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(4-hydroxybut-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-[2-(1-hydroxycyclopentyl)ethynyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(3-hydroxypent-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-(3-hydroxyprop-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-pyridin-4-ylpyrazine-2-carboxamide;methane (PubChem CID 159166922) has the molecular formula C119H123Cl5N46O9 and a molecular weight of 2518.87 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-(4-hydroxybut-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-[2-(1-hydroxycyclopentyl)ethynyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(3-hydroxypent-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-(3-hydroxyprop-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-pyridin-4-ylpyrazine-2-carboxamide;methane.

Molecular Properties

• Compound Name: 3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(4-hydroxybut-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-[2-(1-hydroxycyclopentyl)ethynyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(3-hydroxypent-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-(3-hydroxyprop-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-pyridin-4-ylpyrazine-2-carboxamide;methane
• PubChem CID: 159166922
• Molecular Formula: C119H123Cl5N46O9
• Molecular Weight: 2518.87 g/mol
• Exact Mass: 2514.90
• IUPAC Name: 3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(4-hydroxybut-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-[2-(1-hydroxycyclopentyl)ethynyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(3-hydroxypent-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-(3-hydroxyprop-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-pyridin-4-ylpyrazine-2-carboxamide;methane
• SMILES: C.C.C.C.C.CCC(O)C#Cc1cnc(N)c(C(=O)N[C@H](C)c2nnc3ccc(Nc4cccc(Cl)c4)nn23)n1.C[C@@H](NC(=O)c1nc(-c2ccncc2)cnc1N)c1nnc2ccc(Nc3cccc(Cl)c3)nn12.C[C@@H](NC(=O)c1nc(C#CC2(O)CCCC2)cnc1N)c1nnc2ccc(Nc3cccc(Cl)c3)nn12.C[C@@H](NC(=O)c1nc(C#CCCO)cnc1N)c1nnc2ccc(Nc3cccc(Cl)c3)nn12.C[C@@H](NC(=O)c1nc(C#CCO)cnc1N)c1nnc2ccc(Nc3cccc(Cl)c3)nn12
• InChI: InChI=1S/C25H24ClN9O2.C23H19ClN10O.C23H22ClN9O2.C22H20ClN9O2.C21H18ClN9O2.5CH4/c1-15(23-33-32-20-8-7-19(34-35(20)23)30-17-6-4-5-16(26)13-17)29-24(36)21-22(27)28-14-18(31-21)9-12-25(37)10-2-3-11-25;1-13(28-23(35)20-21(25)27-12-17(30-20)14-7-9-26-10-8-14)22-32-31-19-6-5-18(33-34(19)22)29-16-4-2-3-15(24)11-16;1-3-17(34)8-7-16-12-26-21(25)20(29-16)23(35)27-13(2)22-31-30-19-10-9-18(32-33(19)22)28-15-6-4-5-14(24)11-15;1-13(26-22(34)19-20(24)25-12-16(28-19)6-2-3-10-33)21-30-29-18-9-8-17(31-32(18)21)27-15-7-4-5-14(23)11-15;1-12(25-21(33)18-19(23)24-11-15(27-18)6-3-9-32)20-29-28-17-8-7-16(30-31(17)20)26-14-5-2-4-13(22)10-14;;;;;/h4-8,13-15,37H,2-3,10-11H2,1H3,(H2,27,28)(H,29,36)(H,30,34);2-13H,1H3,(H2,25,27)(H,28,35)(H,29,33);4-6,9-13,17,34H,3H2,1-2H3,(H2,25,26)(H,27,35)(H,28,32);4-5,7-9,11-13,33H,3,10H2,1H3,(H2,24,25)(H,26,34)(H,27,31);2,4-5,7-8,10-12,32H,9H2,1H3,(H2,23,24)(H,25,33)(H,26,30);5*1H4/t15-;13-;13-,17?;13-;12-;;;;;/m11111...../s1
• InChIKey: KLENHFJEHARBDT-PKMMPAAYSA-N
• XLogP: 16.02
• TPSA: 773.86 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 50
• Rotatable Bonds: 28
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2518.87
LogP ≤ 5	16.02
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	50

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-(4-hydroxybut-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-[2-(1-hydroxycyclopentyl)ethynyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(3-hydroxypent-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-(3-hydroxyprop-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-pyridin-4-ylpyrazine-2-carboxamide;methane?

The IUPAC name of 3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(4-hydroxybut-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-[2-(1-hydroxycyclopentyl)ethynyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(3-hydroxypent-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-(3-hydroxyprop-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-pyridin-4-ylpyrazine-2-carboxamide;methane (CID 159166922) is 3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(4-hydroxybut-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-[2-(1-hydroxycyclopentyl)ethynyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(3-hydroxypent-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-(3-hydroxyprop-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-pyridin-4-ylpyrazine-2-carboxamide;methane.

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-(4-hydroxybut-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-[2-(1-hydroxycyclopentyl)ethynyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(3-hydroxypent-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-(3-hydroxyprop-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-pyridin-4-ylpyrazine-2-carboxamide;methane?

The canonical SMILES for 3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(4-hydroxybut-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-[2-(1-hydroxycyclopentyl)ethynyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(3-hydroxypent-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-(3-hydroxyprop-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-pyridin-4-ylpyrazine-2-carboxamide;methane is C.C.C.C.C.CCC(O)C#Cc1cnc(N)c(C(=O)N[C@H](C)c2nnc3ccc(Nc4cccc(Cl)c4)nn23)n1.C[C@@H](NC(=O)c1nc(-c2ccncc2)cnc1N)c1nnc2ccc(Nc3cccc(Cl)c3)nn12.C[C@@H](NC(=O)c1nc(C#CC2(O)CCCC2)cnc1N)c1nnc2ccc(Nc3cccc(Cl)c3)nn12.C[C@@H](NC(=O)c1nc(C#CCCO)cnc1N)c1nnc2ccc(Nc3cccc(Cl)c3)nn12.C[C@@H](NC(=O)c1nc(C#CCO)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-(4-hydroxybut-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-[2-(1-hydroxycyclopentyl)ethynyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(3-hydroxypent-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-(3-hydroxyprop-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-pyridin-4-ylpyrazine-2-carboxamide;methane?

The InChIKey is KLENHFJEHARBDT-PKMMPAAYSA-N. The full InChI is InChI=1S/C25H24ClN9O2.C23H19ClN10O.C23H22ClN9O2.C22H20ClN9O2.C21H18ClN9O2.5CH4/c1-15(23-33-32-20-8-7-19(34-35(20)23)30-17-6-4-5-16(26)13-17)29-24(36)21-22(27)28-14-18(31-21)9-12-25(37)10-2-3-11-25;1-13(28-23(35)20-21(25)27-12-17(30-20)14-7-9-26-10-8-14)22-32-31-19-6-5-18(33-34(19)22)29-16-4-2-3-15(24)11-16;1-3-17(34)8-7-16-12-26-21(25)20(29-16)23(35)27-13(2)22-31-30-19-10-9-18(32-33(19)22)28-15-6-4-5-14(24)11-15;1-13(26-22(34)19-20(24)25-12-16(28-19)6-2-3-10-33)21-30-29-18-9-8-17(31-32(18)21)27-15-7-4-5-14(23)11-15;1-12(25-21(33)18-19(23)24-11-15(27-18)6-3-9-32)20-29-28-17-8-7-16(30-31(17)20)26-14-5-2-4-13(22)10-14;;;;;/h4-8,13-15,37H,2-3,10-11H2,1H3,(H2,27,28)(H,29,36)(H,30,34);2-13H,1H3,(H2,25,27)(H,28,35)(H,29,33);4-6,9-13,17,34H,3H2,1-2H3,(H2,25,26)(H,27,35)(H,28,32);4-5,7-9,11-13,33H,3,10H2,1H3,(H2,24,25)(H,26,34)(H,27,31);2,4-5,7-8,10-12,32H,9H2,1H3,(H2,23,24)(H,25,33)(H,26,30);5*1H4/t15-;13-;13-,17?;13-;12-;;;;;/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-(4-hydroxybut-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-[2-(1-hydroxycyclopentyl)ethynyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(3-hydroxypent-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-(3-hydroxyprop-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-pyridin-4-ylpyrazine-2-carboxamide;methane?

3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(4-hydroxybut-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-[2-(1-hydroxycyclopentyl)ethynyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(3-hydroxypent-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-(3-hydroxyprop-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-pyridin-4-ylpyrazine-2-carboxamide;methane has a molecular weight of 2518.87 g/mol, XLogP of 16.02, 28 rotatable bonds, 19 hydrogen bond donors, and 50 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-(4-hydroxybut-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-[2-(1-hydroxycyclopentyl)ethynyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(3-hydroxypent-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-(3-hydroxyprop-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-pyridin-4-ylpyrazine-2-carboxamide;methane is sourced from PubChem (CID 159166922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).