N-(cyclobutylmethyl)-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[4-[6-[(2-cyclopentylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[4-(4,4-dimethylhexanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[4-(4,4-dimethylpentanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-methyl-1-[4-[6-[2-oxo-3-(3-pyrrolidin-1-ylphenyl)propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[(2-pyrazin-2-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide

C140H171F9N42O15 — CID 158366397

About N-(cyclobutylmethyl)-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[4-[6-[(2-cyclopentylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[4-(4,4-dimethylhexanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[4-(4,4-dimethylpentanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-methyl-1-[4-[6-[2-oxo-3-(3-pyrrolidin-1-ylphenyl)propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[(2-pyrazin-2-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide

N-(cyclobutylmethyl)-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[4-[6-[(2-cyclopentylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[4-(4,4-dimethylhexanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[4-(4,4-dimethylpentanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-methyl-1-[4-[6-[2-oxo-3-(3-pyrrolidin-1-ylphenyl)propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[(2-pyrazin-2-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide (PubChem CID 158366397) has the molecular formula C140H171F9N42O15 and a molecular weight of 2853.17 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[4-[6-[(2-cyclopentylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[4-(4,4-dimethylhexanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[4-(4,4-dimethylpentanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-methyl-1-[4-[6-[2-oxo-3-(3-pyrrolidin-1-ylphenyl)propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[(2-pyrazin-2-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide.

Molecular Properties

• Compound Name: N-(cyclobutylmethyl)-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[4-[6-[(2-cyclopentylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[4-(4,4-dimethylhexanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[4-(4,4-dimethylpentanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-methyl-1-[4-[6-[2-oxo-3-(3-pyrrolidin-1-ylphenyl)propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[(2-pyrazin-2-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide
• PubChem CID: 158366397
• Molecular Formula: C140H171F9N42O15
• Molecular Weight: 2853.17 g/mol
• Exact Mass: 2851.38
• IUPAC Name: N-(cyclobutylmethyl)-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[4-[6-[(2-cyclopentylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[4-(4,4-dimethylhexanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[4-(4,4-dimethylpentanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-methyl-1-[4-[6-[2-oxo-3-(3-pyrrolidin-1-ylphenyl)propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[(2-pyrazin-2-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide
• SMILES: CC(C)(C)CCC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cccc(OC(F)(F)F)c3)nn2)nn1.CCC(C)(C)CCC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cccc(OC(F)(F)F)c3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(CC(=O)Cc3cccc(N4CCCC4)c3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)CC3CCCC3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cnccn3)nn2)nn1.O=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(CCCCn2cc(C(=O)NCC3CCC3)nn2)nn1
• InChI: InChI=1S/C27H33F3N6O3.C26H31F3N6O3.C25H28F3N7O3.C25H31N7O2.C19H27N7O2.C18H21N9O2/c1-4-26(2,3)14-13-23(37)22-18-36(35-33-22)15-6-5-9-20-11-12-24(34-32-20)31-25(38)17-19-8-7-10-21(16-19)39-27(28,29)30;1-25(2,3)13-12-22(36)21-17-35(34-32-21)14-5-4-8-19-10-11-23(33-31-19)30-24(37)16-18-7-6-9-20(15-18)38-26(27,28)29;26-25(27,28)38-20-9-4-7-18(13-20)14-23(36)30-22-11-10-19(31-33-22)8-1-2-12-35-16-21(32-34-35)24(37)29-15-17-5-3-6-17;1-26-25(34)24-18-32(30-29-24)14-3-2-8-20-10-11-21(28-27-20)17-23(33)16-19-7-6-9-22(15-19)31-12-4-5-13-31;1-20-19(28)16-13-26(25-23-16)11-5-4-8-15-9-10-17(24-22-15)21-18(27)12-14-6-2-3-7-14;1-19-18(29)15-12-27(26-24-15)9-3-2-4-13-5-6-16(25-23-13)22-17(28)10-14-11-20-7-8-21-14/h7-8,10-12,16,18H,4-6,9,13-15,17H2,1-3H3,(H,31,34,38);6-7,9-11,15,17H,4-5,8,12-14,16H2,1-3H3,(H,30,33,37);4,7,9-11,13,16-17H,1-3,5-6,8,12,14-15H2,(H,29,37)(H,30,33,36);6-7,9-11,15,18H,2-5,8,12-14,16-17H2,1H3,(H,26,34);9-10,13-14H,2-8,11-12H2,1H3,(H,20,28)(H,21,24,27);5-8,11-12H,2-4,9-10H2,1H3,(H,19,29)(H,22,25,28)
• InChIKey: GUBUKZJDMFWMTJ-UHFFFAOYSA-N
• XLogP: 19.25
• TPSA: 708.76 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 48
• Rotatable Bonds: 67
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2853.17
LogP ≤ 5	19.25
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[4-[6-[(2-cyclopentylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[4-(4,4-dimethylhexanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[4-(4,4-dimethylpentanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-methyl-1-[4-[6-[2-oxo-3-(3-pyrrolidin-1-ylphenyl)propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[(2-pyrazin-2-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide?

The IUPAC name of N-(cyclobutylmethyl)-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[4-[6-[(2-cyclopentylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[4-(4,4-dimethylhexanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[4-(4,4-dimethylpentanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-methyl-1-[4-[6-[2-oxo-3-(3-pyrrolidin-1-ylphenyl)propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[(2-pyrazin-2-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide (CID 158366397) is N-(cyclobutylmethyl)-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[4-[6-[(2-cyclopentylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[4-(4,4-dimethylhexanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[4-(4,4-dimethylpentanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-methyl-1-[4-[6-[2-oxo-3-(3-pyrrolidin-1-ylphenyl)propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[(2-pyrazin-2-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide.

What is the SMILES notation for N-(cyclobutylmethyl)-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[4-[6-[(2-cyclopentylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[4-(4,4-dimethylhexanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[4-(4,4-dimethylpentanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-methyl-1-[4-[6-[2-oxo-3-(3-pyrrolidin-1-ylphenyl)propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[(2-pyrazin-2-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide?

The canonical SMILES for N-(cyclobutylmethyl)-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[4-[6-[(2-cyclopentylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[4-(4,4-dimethylhexanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[4-(4,4-dimethylpentanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-methyl-1-[4-[6-[2-oxo-3-(3-pyrrolidin-1-ylphenyl)propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[(2-pyrazin-2-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide is CC(C)(C)CCC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cccc(OC(F)(F)F)c3)nn2)nn1.CCC(C)(C)CCC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cccc(OC(F)(F)F)c3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(CC(=O)Cc3cccc(N4CCCC4)c3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)CC3CCCC3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cnccn3)nn2)nn1.O=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(CCCCn2cc(C(=O)NCC3CCC3)nn2)nn1.

What is the InChIKey of N-(cyclobutylmethyl)-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[4-[6-[(2-cyclopentylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[4-(4,4-dimethylhexanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[4-(4,4-dimethylpentanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-methyl-1-[4-[6-[2-oxo-3-(3-pyrrolidin-1-ylphenyl)propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[(2-pyrazin-2-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide?

The InChIKey is GUBUKZJDMFWMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33F3N6O3.C26H31F3N6O3.C25H28F3N7O3.C25H31N7O2.C19H27N7O2.C18H21N9O2/c1-4-26(2,3)14-13-23(37)22-18-36(35-33-22)15-6-5-9-20-11-12-24(34-32-20)31-25(38)17-19-8-7-10-21(16-19)39-27(28,29)30;1-25(2,3)13-12-22(36)21-17-35(34-32-21)14-5-4-8-19-10-11-23(33-31-19)30-24(37)16-18-7-6-9-20(15-18)38-26(27,28)29;26-25(27,28)38-20-9-4-7-18(13-20)14-23(36)30-22-11-10-19(31-33-22)8-1-2-12-35-16-21(32-34-35)24(37)29-15-17-5-3-6-17;1-26-25(34)24-18-32(30-29-24)14-3-2-8-20-10-11-21(28-27-20)17-23(33)16-19-7-6-9-22(15-19)31-12-4-5-13-31;1-20-19(28)16-13-26(25-23-16)11-5-4-8-15-9-10-17(24-22-15)21-18(27)12-14-6-2-3-7-14;1-19-18(29)15-12-27(26-24-15)9-3-2-4-13-5-6-16(25-23-13)22-17(28)10-14-11-20-7-8-21-14/h7-8,10-12,16,18H,4-6,9,13-15,17H2,1-3H3,(H,31,34,38);6-7,9-11,15,17H,4-5,8,12-14,16H2,1-3H3,(H,30,33,37);4,7,9-11,13,16-17H,1-3,5-6,8,12,14-15H2,(H,29,37)(H,30,33,36);6-7,9-11,15,18H,2-5,8,12-14,16-17H2,1H3,(H,26,34);9-10,13-14H,2-8,11-12H2,1H3,(H,20,28)(H,21,24,27);5-8,11-12H,2-4,9-10H2,1H3,(H,19,29)(H,22,25,28).

What are the key properties of N-(cyclobutylmethyl)-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[4-[6-[(2-cyclopentylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[4-(4,4-dimethylhexanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[4-(4,4-dimethylpentanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-methyl-1-[4-[6-[2-oxo-3-(3-pyrrolidin-1-ylphenyl)propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[(2-pyrazin-2-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide?

N-(cyclobutylmethyl)-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[4-[6-[(2-cyclopentylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[4-(4,4-dimethylhexanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[4-(4,4-dimethylpentanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-methyl-1-[4-[6-[2-oxo-3-(3-pyrrolidin-1-ylphenyl)propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[(2-pyrazin-2-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide has a molecular weight of 2853.17 g/mol, XLogP of 19.25, 67 rotatable bonds, 9 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclobutylmethyl)-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[4-[6-[(2-cyclopentylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[4-(4,4-dimethylhexanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[4-(4,4-dimethylpentanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-methyl-1-[4-[6-[2-oxo-3-(3-pyrrolidin-1-ylphenyl)propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[(2-pyrazin-2-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide is sourced from PubChem (CID 158366397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).