7-(4-chloro-2-fluorophenyl)-8-(2-chloro-6-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(4-chloro-2-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(4-chlorophenyl)-8-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

C71H48Cl4F10N24 — CID 165024550

About 7-(4-chloro-2-fluorophenyl)-8-(2-chloro-6-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(4-chloro-2-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(4-chlorophenyl)-8-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

7-(4-chloro-2-fluorophenyl)-8-(2-chloro-6-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(4-chloro-2-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(4-chlorophenyl)-8-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (PubChem CID 165024550) has the molecular formula C71H48Cl4F10N24 and a molecular weight of 1569.12 g/mol. Its IUPAC name is 7-(4-chloro-2-fluorophenyl)-8-(2-chloro-6-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(4-chloro-2-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(4-chlorophenyl)-8-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine.

Molecular Properties

• Compound Name: 7-(4-chloro-2-fluorophenyl)-8-(2-chloro-6-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(4-chloro-2-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(4-chlorophenyl)-8-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
• PubChem CID: 165024550
• Molecular Formula: C71H48Cl4F10N24
• Molecular Weight: 1569.12 g/mol
• Exact Mass: 1566.31
• IUPAC Name: 7-(4-chloro-2-fluorophenyl)-8-(2-chloro-6-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(4-chloro-2-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(4-chlorophenyl)-8-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
• SMILES: Cc1cc(-c2c(-c3ccc(Cl)cc3)nc(N)n3cnnc23)cc(C(F)F)n1.Cc1cc(-c2c(-c3ccc(Cl)cc3F)nc(N)n3cnnc23)cc(C(F)(F)F)n1.Cc1cc(-c2c(-c3ccc(Cl)cc3F)nc(N)n3cnnc23)cc(Cl)n1.Cc1cc(-c2c(-c3ccc(F)cc3)nc(N)n3cnnc23)cc(C(F)F)n1
• InChI: InChI=1S/C18H11ClF4N6.C18H13ClF2N6.C18H13F3N6.C17H11Cl2FN6/c1-8-4-9(5-13(26-8)18(21,22)23)14-15(11-3-2-10(19)6-12(11)20)27-17(24)29-7-25-28-16(14)29;2*1-9-6-11(7-13(24-9)16(20)21)14-15(10-2-4-12(19)5-3-10)25-18(22)27-8-23-26-17(14)27;1-8-4-9(5-13(19)23-8)14-15(11-3-2-10(18)6-12(11)20)24-17(21)26-7-22-25-16(14)26/h2-7H,1H3,(H2,24,27);2*2-8,16H,1H3,(H2,22,25);2-7H,1H3,(H2,21,24)
• InChIKey: LRDCTIGJGGQBPO-UHFFFAOYSA-N
• XLogP: 16.90
• TPSA: 327.96 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 10
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1569.12
LogP ≤ 5	16.90
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 7-(4-chloro-2-fluorophenyl)-8-(2-chloro-6-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(4-chloro-2-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(4-chlorophenyl)-8-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (CID 165024550) is 7-(4-chloro-2-fluorophenyl)-8-(2-chloro-6-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(4-chloro-2-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(4-chlorophenyl)-8-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine.

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

The canonical SMILES for 7-(4-chloro-2-fluorophenyl)-8-(2-chloro-6-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(4-chloro-2-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(4-chlorophenyl)-8-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is Cc1cc(-c2c(-c3ccc(Cl)cc3)nc(N)n3cnnc23)cc(C(F)F)n1.Cc1cc(-c2c(-c3ccc(Cl)cc3F)nc(N)n3cnnc23)cc(C(F)(F)F)n1.Cc1cc(-c2c(-c3ccc(Cl)cc3F)nc(N)n3cnnc23)cc(Cl)n1.Cc1cc(-c2c(-c3ccc(F)cc3)nc(N)n3cnnc23)cc(C(F)F)n1.

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

The InChIKey is LRDCTIGJGGQBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF4N6.C18H13ClF2N6.C18H13F3N6.C17H11Cl2FN6/c1-8-4-9(5-13(26-8)18(21,22)23)14-15(11-3-2-10(19)6-12(11)20)27-17(24)29-7-25-28-16(14)29;2*1-9-6-11(7-13(24-9)16(20)21)14-15(10-2-4-12(19)5-3-10)25-18(22)27-8-23-26-17(14)27;1-8-4-9(5-13(19)23-8)14-15(11-3-2-10(18)6-12(11)20)24-17(21)26-7-22-25-16(14)26/h2-7H,1H3,(H2,24,27);2*2-8,16H,1H3,(H2,22,25);2-7H,1H3,(H2,21,24).

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

7-(4-chloro-2-fluorophenyl)-8-(2-chloro-6-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(4-chloro-2-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(4-chlorophenyl)-8-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine has a molecular weight of 1569.12 g/mol, XLogP of 16.90, 10 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-chloro-2-fluorophenyl)-8-(2-chloro-6-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(4-chloro-2-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(4-chlorophenyl)-8-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is sourced from PubChem (CID 165024550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).