8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-(2,6-dimethyl-4-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-(2-methoxy-6-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

C71H49ClF12N24O — CID 162211309

About 8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-(2,6-dimethyl-4-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-(2-methoxy-6-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-(2,6-dimethyl-4-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-(2-methoxy-6-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (PubChem CID 162211309) has the molecular formula C71H49ClF12N24O and a molecular weight of 1517.77 g/mol. Its IUPAC name is 8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-(2,6-dimethyl-4-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-(2-methoxy-6-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine.

Molecular Properties

• Compound Name: 8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-(2,6-dimethyl-4-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-(2-methoxy-6-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
• PubChem CID: 162211309
• Molecular Formula: C71H49ClF12N24O
• Molecular Weight: 1517.77 g/mol
• Exact Mass: 1516.40
• IUPAC Name: 8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-(2,6-dimethyl-4-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-(2-methoxy-6-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
• SMILES: COc1cc(-c2c(-c3ccc(F)cc3F)nc(N)n3cnnc23)cc(C)n1.Cc1cc(-c2c(-c3ccc(F)cc3F)nc(N)n3cnnc23)cc(C)n1.Cc1cc(-c2c(-c3ccccc3)nc(N)n3cnnc23)cc(C(F)(F)F)n1.Nc1nc(-c2ccc(F)cc2F)c(-c2cc(Cl)nc(C(F)(F)F)c2)c2nncn12
• InChI: InChI=1S/C18H13F3N6.C18H14F2N6O.C18H14F2N6.C17H8ClF5N6/c1-10-7-12(8-13(24-10)18(19,20)21)14-15(11-5-3-2-4-6-11)25-17(22)27-9-23-26-16(14)27;1-9-5-10(6-14(23-9)27-2)15-16(12-4-3-11(19)7-13(12)20)24-18(21)26-8-22-25-17(15)26;1-9-5-11(6-10(2)23-9)15-16(13-4-3-12(19)7-14(13)20)24-18(21)26-8-22-25-17(15)26;18-12-4-7(3-11(26-12)17(21,22)23)13-14(9-2-1-8(19)5-10(9)20)27-16(24)29-6-25-28-15(13)29/h2-9H,1H3,(H2,22,25);3-8H,1-2H3,(H2,21,24);3-8H,1-2H3,(H2,21,24);1-6H,(H2,24,27)
• InChIKey: ZSWMERZDBOBHFX-UHFFFAOYSA-N
• XLogP: 14.51
• TPSA: 337.19 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 9
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1517.77
LogP ≤ 5	14.51
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-(2,6-dimethyl-4-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-(2-methoxy-6-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?

The IUPAC name of 8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-(2,6-dimethyl-4-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-(2-methoxy-6-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (CID 162211309) is 8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-(2,6-dimethyl-4-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-(2-methoxy-6-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine.

What is the SMILES notation for 8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-(2,6-dimethyl-4-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-(2-methoxy-6-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?

The canonical SMILES for 8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-(2,6-dimethyl-4-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-(2-methoxy-6-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is COc1cc(-c2c(-c3ccc(F)cc3F)nc(N)n3cnnc23)cc(C)n1.Cc1cc(-c2c(-c3ccc(F)cc3F)nc(N)n3cnnc23)cc(C)n1.Cc1cc(-c2c(-c3ccccc3)nc(N)n3cnnc23)cc(C(F)(F)F)n1.Nc1nc(-c2ccc(F)cc2F)c(-c2cc(Cl)nc(C(F)(F)F)c2)c2nncn12.

What is the InChIKey of 8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-(2,6-dimethyl-4-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-(2-methoxy-6-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?

The InChIKey is ZSWMERZDBOBHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N6.C18H14F2N6O.C18H14F2N6.C17H8ClF5N6/c1-10-7-12(8-13(24-10)18(19,20)21)14-15(11-5-3-2-4-6-11)25-17(22)27-9-23-26-16(14)27;1-9-5-10(6-14(23-9)27-2)15-16(12-4-3-11(19)7-13(12)20)24-18(21)26-8-22-25-17(15)26;1-9-5-11(6-10(2)23-9)15-16(13-4-3-12(19)7-14(13)20)24-18(21)26-8-22-25-17(15)26;18-12-4-7(3-11(26-12)17(21,22)23)13-14(9-2-1-8(19)5-10(9)20)27-16(24)29-6-25-28-15(13)29/h2-9H,1H3,(H2,22,25);3-8H,1-2H3,(H2,21,24);3-8H,1-2H3,(H2,21,24);1-6H,(H2,24,27).

What are the key properties of 8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-(2,6-dimethyl-4-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-(2-methoxy-6-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?

8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-(2,6-dimethyl-4-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-(2-methoxy-6-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine has a molecular weight of 1517.77 g/mol, XLogP of 14.51, 9 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-(2,6-dimethyl-4-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-(2-methoxy-6-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is sourced from PubChem (CID 162211309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).