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

C89H71Cl2F5N30O — CID 164995208

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

8-(2-chloro-6-methyl-4-pyridinyl)-7-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2-ethyl-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2-methoxy-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (PubChem CID 164995208) has the molecular formula C89H71Cl2F5N30O and a molecular weight of 1742.65 g/mol. Its IUPAC name is 8-(2-chloro-6-methyl-4-pyridinyl)-7-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2-ethyl-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2-methoxy-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine.

Molecular Properties

• Compound Name: 8-(2-chloro-6-methyl-4-pyridinyl)-7-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2-ethyl-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2-methoxy-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
• PubChem CID: 164995208
• Molecular Formula: C89H71Cl2F5N30O
• Molecular Weight: 1742.65 g/mol
• Exact Mass: 1740.57
• IUPAC Name: 8-(2-chloro-6-methyl-4-pyridinyl)-7-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2-ethyl-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2-methoxy-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
• SMILES: CCc1cc(-c2c(-c3ccccc3)nc(N)n3cnnc23)cc(C)n1.COc1cc(-c2c(-c3ccccc3)nc(N)n3cnnc23)cc(C)n1.Cc1cc(-c2c(-c3ccc(F)cc3)nc(N)n3cnnc23)cc(C)n1.Cc1cc(-c2c(-c3ccccc3F)nc(N)n3cnnc23)cc(Cl)n1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)nc(C(F)(F)F)c2)c2nncn12
• InChI: InChI=1S/C19H18N6.C18H15FN6.C18H16N6O.C17H10ClF3N6.C17H12ClFN6/c1-3-15-10-14(9-12(2)22-15)16-17(13-7-5-4-6-8-13)23-19(20)25-11-21-24-18(16)25;1-10-7-13(8-11(2)22-10)15-16(12-3-5-14(19)6-4-12)23-18(20)25-9-21-24-17(15)25;1-11-8-13(9-14(21-11)25-2)15-16(12-6-4-3-5-7-12)22-18(19)24-10-20-23-17(15)24;18-12-7-10(6-11(24-12)17(19,20)21)13-14(9-4-2-1-3-5-9)25-16(22)27-8-23-26-15(13)27;1-9-6-10(7-13(18)22-9)14-15(11-4-2-3-5-12(11)19)23-17(20)25-8-21-24-16(14)25/h4-11H,3H2,1-2H3,(H2,20,23);3-9H,1-2H3,(H2,20,23);3-10H,1-2H3,(H2,19,22);1-8H,(H2,22,25);2-8H,1H3,(H2,20,23)
• InChIKey: HLNFDNBGOFDFJQ-UHFFFAOYSA-N
• XLogP: 16.89
• TPSA: 419.18 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 31
• Rotatable Bonds: 12
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1742.65
LogP ≤ 5	16.89
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	31

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

The IUPAC name of 8-(2-chloro-6-methyl-4-pyridinyl)-7-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2-ethyl-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2-methoxy-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (CID 164995208) is 8-(2-chloro-6-methyl-4-pyridinyl)-7-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2-ethyl-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2-methoxy-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine.

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

The canonical SMILES for 8-(2-chloro-6-methyl-4-pyridinyl)-7-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2-ethyl-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2-methoxy-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is CCc1cc(-c2c(-c3ccccc3)nc(N)n3cnnc23)cc(C)n1.COc1cc(-c2c(-c3ccccc3)nc(N)n3cnnc23)cc(C)n1.Cc1cc(-c2c(-c3ccc(F)cc3)nc(N)n3cnnc23)cc(C)n1.Cc1cc(-c2c(-c3ccccc3F)nc(N)n3cnnc23)cc(Cl)n1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)nc(C(F)(F)F)c2)c2nncn12.

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

The InChIKey is HLNFDNBGOFDFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6.C18H15FN6.C18H16N6O.C17H10ClF3N6.C17H12ClFN6/c1-3-15-10-14(9-12(2)22-15)16-17(13-7-5-4-6-8-13)23-19(20)25-11-21-24-18(16)25;1-10-7-13(8-11(2)22-10)15-16(12-3-5-14(19)6-4-12)23-18(20)25-9-21-24-17(15)25;1-11-8-13(9-14(21-11)25-2)15-16(12-6-4-3-5-7-12)22-18(19)24-10-20-23-17(15)24;18-12-7-10(6-11(24-12)17(19,20)21)13-14(9-4-2-1-3-5-9)25-16(22)27-8-23-26-15(13)27;1-9-6-10(7-13(18)22-9)14-15(11-4-2-3-5-12(11)19)23-17(20)25-8-21-24-16(14)25/h4-11H,3H2,1-2H3,(H2,20,23);3-9H,1-2H3,(H2,20,23);3-10H,1-2H3,(H2,19,22);1-8H,(H2,22,25);2-8H,1H3,(H2,20,23).

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

8-(2-chloro-6-methyl-4-pyridinyl)-7-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2-ethyl-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2-methoxy-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine has a molecular weight of 1742.65 g/mol, XLogP of 16.89, 12 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(2-chloro-6-methyl-4-pyridinyl)-7-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2-ethyl-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2-methoxy-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is sourced from PubChem (CID 164995208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).