4-(5-hexylthiophen-2-yl)-2-(4-methylphenyl)-6-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine;methane;2-(4-methylphenyl)-6-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine;2-(5-methyl-1H-pyrazol-3-yl)-6-[3-(trifluoromethyl)phenyl]pyridine;2-(5-methyl-1H-1,2,4-triazol-3-yl)-6-[4-methyl-3-(trifluoromethyl)phenyl]pyridine;2-(5-methyl-1H-1,2,4-triazol-3-yl)-6-[3-(trifluoromethyl)phenyl]pyridine

C88H82F9N19S — CID 160686358

About 4-(5-hexylthiophen-2-yl)-2-(4-methylphenyl)-6-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine;methane;2-(4-methylphenyl)-6-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine;2-(5-methyl-1H-pyrazol-3-yl)-6-[3-(trifluoromethyl)phenyl]pyridine;2-(5-methyl-1H-1,2,4-triazol-3-yl)-6-[4-methyl-3-(trifluoromethyl)phenyl]pyridine;2-(5-methyl-1H-1,2,4-triazol-3-yl)-6-[3-(trifluoromethyl)phenyl]pyridine

4-(5-hexylthiophen-2-yl)-2-(4-methylphenyl)-6-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine;methane;2-(4-methylphenyl)-6-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine;2-(5-methyl-1H-pyrazol-3-yl)-6-[3-(trifluoromethyl)phenyl]pyridine;2-(5-methyl-1H-1,2,4-triazol-3-yl)-6-[4-methyl-3-(trifluoromethyl)phenyl]pyridine;2-(5-methyl-1H-1,2,4-triazol-3-yl)-6-[3-(trifluoromethyl)phenyl]pyridine (PubChem CID 160686358) has the molecular formula C88H82F9N19S and a molecular weight of 1608.81 g/mol. Its IUPAC name is 4-(5-hexylthiophen-2-yl)-2-(4-methylphenyl)-6-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine;methane;2-(4-methylphenyl)-6-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine;2-(5-methyl-1H-pyrazol-3-yl)-6-[3-(trifluoromethyl)phenyl]pyridine;2-(5-methyl-1H-1,2,4-triazol-3-yl)-6-[4-methyl-3-(trifluoromethyl)phenyl]pyridine;2-(5-methyl-1H-1,2,4-triazol-3-yl)-6-[3-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

• Compound Name: 4-(5-hexylthiophen-2-yl)-2-(4-methylphenyl)-6-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine;methane;2-(4-methylphenyl)-6-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine;2-(5-methyl-1H-pyrazol-3-yl)-6-[3-(trifluoromethyl)phenyl]pyridine;2-(5-methyl-1H-1,2,4-triazol-3-yl)-6-[4-methyl-3-(trifluoromethyl)phenyl]pyridine;2-(5-methyl-1H-1,2,4-triazol-3-yl)-6-[3-(trifluoromethyl)phenyl]pyridine
• PubChem CID: 160686358
• Molecular Formula: C88H82F9N19S
• Molecular Weight: 1608.81 g/mol
• Exact Mass: 1607.66
• IUPAC Name: 4-(5-hexylthiophen-2-yl)-2-(4-methylphenyl)-6-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine;methane;2-(4-methylphenyl)-6-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine;2-(5-methyl-1H-pyrazol-3-yl)-6-[3-(trifluoromethyl)phenyl]pyridine;2-(5-methyl-1H-1,2,4-triazol-3-yl)-6-[4-methyl-3-(trifluoromethyl)phenyl]pyridine;2-(5-methyl-1H-1,2,4-triazol-3-yl)-6-[3-(trifluoromethyl)phenyl]pyridine
• SMILES: C.CCCCCCc1ccc(-c2cc(-c3ccc(C)cc3)nc(-c3n[nH]c(C)n3)c2)s1.Cc1cc(-c2cccc(-c3cccc(C(F)(F)F)c3)n2)n[nH]1.Cc1ccc(-c2cccc(-c3n[nH]c(C)n3)n2)cc1.Cc1nc(-c2cccc(-c3ccc(C)c(C(F)(F)F)c3)n2)n[nH]1.Cc1nc(-c2cccc(-c3cccc(C(F)(F)F)c3)n2)n[nH]1
• InChI: InChI=1S/C25H28N4S.C16H13F3N4.C16H12F3N3.C15H11F3N4.C15H14N4.CH4/c1-4-5-6-7-8-21-13-14-24(30-21)20-15-22(19-11-9-17(2)10-12-19)27-23(16-20)25-26-18(3)28-29-25;1-9-6-7-11(8-12(9)16(17,18)19)13-4-3-5-14(21-13)15-20-10(2)22-23-15;1-10-8-15(22-21-10)14-7-3-6-13(20-14)11-4-2-5-12(9-11)16(17,18)19;1-9-19-14(22-21-9)13-7-3-6-12(20-13)10-4-2-5-11(8-10)15(16,17)18;1-10-6-8-12(9-7-10)13-4-3-5-14(17-13)15-16-11(2)18-19-15;/h9-16H,4-8H2,1-3H3,(H,26,28,29);3-8H,1-2H3,(H,20,22,23);2-9H,1H3,(H,21,22);2-8H,1H3,(H,19,21,22);3-9H,1-2H3,(H,16,18,19);1H4
• InChIKey: ROUUITWWQRHGMQ-UHFFFAOYSA-N
• XLogP: 23.28
• TPSA: 259.41 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 16
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1608.81
LogP ≤ 5	23.28
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(5-hexylthiophen-2-yl)-2-(4-methylphenyl)-6-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine;methane;2-(4-methylphenyl)-6-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine;2-(5-methyl-1H-pyrazol-3-yl)-6-[3-(trifluoromethyl)phenyl]pyridine;2-(5-methyl-1H-1,2,4-triazol-3-yl)-6-[4-methyl-3-(trifluoromethyl)phenyl]pyridine;2-(5-methyl-1H-1,2,4-triazol-3-yl)-6-[3-(trifluoromethyl)phenyl]pyridine?

The IUPAC name of 4-(5-hexylthiophen-2-yl)-2-(4-methylphenyl)-6-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine;methane;2-(4-methylphenyl)-6-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine;2-(5-methyl-1H-pyrazol-3-yl)-6-[3-(trifluoromethyl)phenyl]pyridine;2-(5-methyl-1H-1,2,4-triazol-3-yl)-6-[4-methyl-3-(trifluoromethyl)phenyl]pyridine;2-(5-methyl-1H-1,2,4-triazol-3-yl)-6-[3-(trifluoromethyl)phenyl]pyridine (CID 160686358) is 4-(5-hexylthiophen-2-yl)-2-(4-methylphenyl)-6-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine;methane;2-(4-methylphenyl)-6-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine;2-(5-methyl-1H-pyrazol-3-yl)-6-[3-(trifluoromethyl)phenyl]pyridine;2-(5-methyl-1H-1,2,4-triazol-3-yl)-6-[4-methyl-3-(trifluoromethyl)phenyl]pyridine;2-(5-methyl-1H-1,2,4-triazol-3-yl)-6-[3-(trifluoromethyl)phenyl]pyridine.

What is the SMILES notation for 4-(5-hexylthiophen-2-yl)-2-(4-methylphenyl)-6-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine;methane;2-(4-methylphenyl)-6-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine;2-(5-methyl-1H-pyrazol-3-yl)-6-[3-(trifluoromethyl)phenyl]pyridine;2-(5-methyl-1H-1,2,4-triazol-3-yl)-6-[4-methyl-3-(trifluoromethyl)phenyl]pyridine;2-(5-methyl-1H-1,2,4-triazol-3-yl)-6-[3-(trifluoromethyl)phenyl]pyridine?

The canonical SMILES for 4-(5-hexylthiophen-2-yl)-2-(4-methylphenyl)-6-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine;methane;2-(4-methylphenyl)-6-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine;2-(5-methyl-1H-pyrazol-3-yl)-6-[3-(trifluoromethyl)phenyl]pyridine;2-(5-methyl-1H-1,2,4-triazol-3-yl)-6-[4-methyl-3-(trifluoromethyl)phenyl]pyridine;2-(5-methyl-1H-1,2,4-triazol-3-yl)-6-[3-(trifluoromethyl)phenyl]pyridine is C.CCCCCCc1ccc(-c2cc(-c3ccc(C)cc3)nc(-c3n[nH]c(C)n3)c2)s1.Cc1cc(-c2cccc(-c3cccc(C(F)(F)F)c3)n2)n[nH]1.Cc1ccc(-c2cccc(-c3n[nH]c(C)n3)n2)cc1.Cc1nc(-c2cccc(-c3ccc(C)c(C(F)(F)F)c3)n2)n[nH]1.Cc1nc(-c2cccc(-c3cccc(C(F)(F)F)c3)n2)n[nH]1.

What is the InChIKey of 4-(5-hexylthiophen-2-yl)-2-(4-methylphenyl)-6-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine;methane;2-(4-methylphenyl)-6-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine;2-(5-methyl-1H-pyrazol-3-yl)-6-[3-(trifluoromethyl)phenyl]pyridine;2-(5-methyl-1H-1,2,4-triazol-3-yl)-6-[4-methyl-3-(trifluoromethyl)phenyl]pyridine;2-(5-methyl-1H-1,2,4-triazol-3-yl)-6-[3-(trifluoromethyl)phenyl]pyridine?

The InChIKey is ROUUITWWQRHGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4S.C16H13F3N4.C16H12F3N3.C15H11F3N4.C15H14N4.CH4/c1-4-5-6-7-8-21-13-14-24(30-21)20-15-22(19-11-9-17(2)10-12-19)27-23(16-20)25-26-18(3)28-29-25;1-9-6-7-11(8-12(9)16(17,18)19)13-4-3-5-14(21-13)15-20-10(2)22-23-15;1-10-8-15(22-21-10)14-7-3-6-13(20-14)11-4-2-5-12(9-11)16(17,18)19;1-9-19-14(22-21-9)13-7-3-6-12(20-13)10-4-2-5-11(8-10)15(16,17)18;1-10-6-8-12(9-7-10)13-4-3-5-14(17-13)15-16-11(2)18-19-15;/h9-16H,4-8H2,1-3H3,(H,26,28,29);3-8H,1-2H3,(H,20,22,23);2-9H,1H3,(H,21,22);2-8H,1H3,(H,19,21,22);3-9H,1-2H3,(H,16,18,19);1H4.

What are the key properties of 4-(5-hexylthiophen-2-yl)-2-(4-methylphenyl)-6-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine;methane;2-(4-methylphenyl)-6-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine;2-(5-methyl-1H-pyrazol-3-yl)-6-[3-(trifluoromethyl)phenyl]pyridine;2-(5-methyl-1H-1,2,4-triazol-3-yl)-6-[4-methyl-3-(trifluoromethyl)phenyl]pyridine;2-(5-methyl-1H-1,2,4-triazol-3-yl)-6-[3-(trifluoromethyl)phenyl]pyridine?

4-(5-hexylthiophen-2-yl)-2-(4-methylphenyl)-6-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine;methane;2-(4-methylphenyl)-6-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine;2-(5-methyl-1H-pyrazol-3-yl)-6-[3-(trifluoromethyl)phenyl]pyridine;2-(5-methyl-1H-1,2,4-triazol-3-yl)-6-[4-methyl-3-(trifluoromethyl)phenyl]pyridine;2-(5-methyl-1H-1,2,4-triazol-3-yl)-6-[3-(trifluoromethyl)phenyl]pyridine has a molecular weight of 1608.81 g/mol, XLogP of 23.28, 16 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5-hexylthiophen-2-yl)-2-(4-methylphenyl)-6-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine;methane;2-(4-methylphenyl)-6-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine;2-(5-methyl-1H-pyrazol-3-yl)-6-[3-(trifluoromethyl)phenyl]pyridine;2-(5-methyl-1H-1,2,4-triazol-3-yl)-6-[4-methyl-3-(trifluoromethyl)phenyl]pyridine;2-(5-methyl-1H-1,2,4-triazol-3-yl)-6-[3-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 160686358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).