N-[6-[[6-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(ethylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(methylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(propylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide

C74H76N32O4S4 — CID 159166985

About N-[6-[[6-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(ethylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(methylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(propylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide

N-[6-[[6-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(ethylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(methylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(propylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (PubChem CID 159166985) has the molecular formula C74H76N32O4S4 and a molecular weight of 1605.91 g/mol. Its IUPAC name is N-[6-[[6-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(ethylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(methylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(propylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[6-[[6-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(ethylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(methylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(propylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
• PubChem CID: 159166985
• Molecular Formula: C74H76N32O4S4
• Molecular Weight: 1605.91 g/mol
• Exact Mass: 1604.56
• IUPAC Name: N-[6-[[6-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(ethylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(methylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(propylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
• SMILES: CCCNCc1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1.CCNCc1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1.CNCc1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1.NCc1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1
• InChI: InChI=1S/C20H22N8OS.C19H20N8OS.C18H18N8OS.C17H16N8OS/c1-2-9-21-10-13-3-6-17-24-25-20(27(17)11-13)30-18-8-7-16-22-15(12-28(16)26-18)23-19(29)14-4-5-14;1-2-20-9-12-3-6-16-23-24-19(26(16)10-12)29-17-8-7-15-21-14(11-27(15)25-17)22-18(28)13-4-5-13;1-19-8-11-2-5-15-22-23-18(25(15)9-11)28-16-7-6-14-20-13(10-26(14)24-16)21-17(27)12-3-4-12;18-7-10-1-4-14-21-22-17(24(14)8-10)27-15-6-5-13-19-12(9-25(13)23-15)20-16(26)11-2-3-11/h3,6-8,11-12,14,21H,2,4-5,9-10H2,1H3,(H,23,29);3,6-8,10-11,13,20H,2,4-5,9H2,1H3,(H,22,28);2,5-7,9-10,12,19H,3-4,8H2,1H3,(H,21,27);1,4-6,8-9,11H,2-3,7,18H2,(H,20,26)
• InChIKey: KLERTJWQVWXDIT-UHFFFAOYSA-N
• XLogP: 8.87
• TPSA: 420.03 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 36
• Rotatable Bonds: 26
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1605.91
LogP ≤ 5	8.87
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[6-[[6-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(ethylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(methylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(propylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?

The IUPAC name of N-[6-[[6-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(ethylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(methylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(propylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (CID 159166985) is N-[6-[[6-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(ethylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(methylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(propylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide.

What is the SMILES notation for N-[6-[[6-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(ethylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(methylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(propylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?

The canonical SMILES for N-[6-[[6-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(ethylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(methylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(propylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is CCCNCc1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1.CCNCc1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1.CNCc1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1.NCc1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1.

What is the InChIKey of N-[6-[[6-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(ethylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(methylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(propylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?

The InChIKey is KLERTJWQVWXDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8OS.C19H20N8OS.C18H18N8OS.C17H16N8OS/c1-2-9-21-10-13-3-6-17-24-25-20(27(17)11-13)30-18-8-7-16-22-15(12-28(16)26-18)23-19(29)14-4-5-14;1-2-20-9-12-3-6-16-23-24-19(26(16)10-12)29-17-8-7-15-21-14(11-27(15)25-17)22-18(28)13-4-5-13;1-19-8-11-2-5-15-22-23-18(25(15)9-11)28-16-7-6-14-20-13(10-26(14)24-16)21-17(27)12-3-4-12;18-7-10-1-4-14-21-22-17(24(14)8-10)27-15-6-5-13-19-12(9-25(13)23-15)20-16(26)11-2-3-11/h3,6-8,11-12,14,21H,2,4-5,9-10H2,1H3,(H,23,29);3,6-8,10-11,13,20H,2,4-5,9H2,1H3,(H,22,28);2,5-7,9-10,12,19H,3-4,8H2,1H3,(H,21,27);1,4-6,8-9,11H,2-3,7,18H2,(H,20,26).

What are the key properties of N-[6-[[6-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(ethylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(methylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(propylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?

N-[6-[[6-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(ethylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(methylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(propylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide has a molecular weight of 1605.91 g/mol, XLogP of 8.87, 26 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[[6-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(ethylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(methylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(propylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 159166985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).