8-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(7-fluoro-1H-isoindol-5-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(8-methylquinolin-6-yl)-7-phenyl-[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;7-phenyl-8-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-phenyl-8-quinolin-6-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

C109H80ClF4N37 — CID 159203965

About 8-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(7-fluoro-1H-isoindol-5-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(8-methylquinolin-6-yl)-7-phenyl-[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;7-phenyl-8-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-phenyl-8-quinolin-6-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

8-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(7-fluoro-1H-isoindol-5-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(8-methylquinolin-6-yl)-7-phenyl-[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;7-phenyl-8-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-phenyl-8-quinolin-6-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (PubChem CID 159203965) has the molecular formula C109H80ClF4N37 and a molecular weight of 2019.54 g/mol. Its IUPAC name is 8-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(7-fluoro-1H-isoindol-5-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(8-methylquinolin-6-yl)-7-phenyl-[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;7-phenyl-8-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-phenyl-8-quinolin-6-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine.

Molecular Properties

• Compound Name: 8-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(7-fluoro-1H-isoindol-5-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(8-methylquinolin-6-yl)-7-phenyl-[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;7-phenyl-8-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-phenyl-8-quinolin-6-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
• PubChem CID: 159203965
• Molecular Formula: C109H80ClF4N37
• Molecular Weight: 2019.54 g/mol
• Exact Mass: 2017.70
• IUPAC Name: 8-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(7-fluoro-1H-isoindol-5-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(8-methylquinolin-6-yl)-7-phenyl-[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;7-phenyl-8-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-phenyl-8-quinolin-6-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
• SMILES: Cc1cc(-c2c(-c3ccccc3)nc(N)n3cnnc23)cc(C(F)(F)F)n1.Cc1cc(-c2c(-c3ccccc3)nc(N)n3cnnc23)cc(Cl)n1.Cc1cc(-c2c(-c3ccccc3)nc(N)n3cnnc23)cc2cccnc12.Nc1nc(-c2ccccc2)c(-c2cc(F)c3c(c2)C=NC3)c2nncn12.Nc1nc(-c2ccccc2)c(-c2ccc3ncccc3c2)c2nncn12.Nc1nc(-c2ccccc2)c(-c2cn[nH]c2)c2nncn12
• InChI: InChI=1S/C21H16N6.C20H14N6.C19H13FN6.C18H13F3N6.C17H13ClN6.C14H11N7/c1-13-10-16(11-15-8-5-9-23-18(13)15)17-19(14-6-3-2-4-7-14)25-21(22)27-12-24-26-20(17)27;21-20-24-18(13-5-2-1-3-6-13)17(19-25-23-12-26(19)20)15-8-9-16-14(11-15)7-4-10-22-16;20-15-7-12(6-13-8-22-9-14(13)15)16-17(11-4-2-1-3-5-11)24-19(21)26-10-23-25-18(16)26;1-10-7-12(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;1-10-7-12(8-13(18)21-10)14-15(11-5-3-2-4-6-11)22-17(19)24-9-20-23-16(14)24;15-14-19-12(9-4-2-1-3-5-9)11(10-6-16-17-7-10)13-20-18-8-21(13)14/h2-12H,1H3,(H2,22,25);1-12H,(H2,21,24);1-8,10H,9H2,(H2,21,24);2-9H,1H3,(H2,22,25);2-9H,1H3,(H2,19,22);1-8H,(H2,15,19)(H,16,17)
• InChIKey: KPQGQYLJNFTJHY-UHFFFAOYSA-N
• XLogP: 19.52
• TPSA: 507.20 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 36
• Rotatable Bonds: 12
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2019.54
LogP ≤ 5	19.52
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	36

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-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(7-fluoro-1H-isoindol-5-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(8-methylquinolin-6-yl)-7-phenyl-[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;7-phenyl-8-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-phenyl-8-quinolin-6-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?

The IUPAC name of 8-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(7-fluoro-1H-isoindol-5-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(8-methylquinolin-6-yl)-7-phenyl-[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;7-phenyl-8-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-phenyl-8-quinolin-6-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (CID 159203965) is 8-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(7-fluoro-1H-isoindol-5-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(8-methylquinolin-6-yl)-7-phenyl-[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;7-phenyl-8-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-phenyl-8-quinolin-6-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine.

What is the SMILES notation for 8-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(7-fluoro-1H-isoindol-5-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(8-methylquinolin-6-yl)-7-phenyl-[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;7-phenyl-8-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-phenyl-8-quinolin-6-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?

The canonical SMILES for 8-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(7-fluoro-1H-isoindol-5-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(8-methylquinolin-6-yl)-7-phenyl-[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;7-phenyl-8-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-phenyl-8-quinolin-6-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is Cc1cc(-c2c(-c3ccccc3)nc(N)n3cnnc23)cc(C(F)(F)F)n1.Cc1cc(-c2c(-c3ccccc3)nc(N)n3cnnc23)cc(Cl)n1.Cc1cc(-c2c(-c3ccccc3)nc(N)n3cnnc23)cc2cccnc12.Nc1nc(-c2ccccc2)c(-c2cc(F)c3c(c2)C=NC3)c2nncn12.Nc1nc(-c2ccccc2)c(-c2ccc3ncccc3c2)c2nncn12.Nc1nc(-c2ccccc2)c(-c2cn[nH]c2)c2nncn12.

What is the InChIKey of 8-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(7-fluoro-1H-isoindol-5-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(8-methylquinolin-6-yl)-7-phenyl-[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;7-phenyl-8-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-phenyl-8-quinolin-6-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?

The InChIKey is KPQGQYLJNFTJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N6.C20H14N6.C19H13FN6.C18H13F3N6.C17H13ClN6.C14H11N7/c1-13-10-16(11-15-8-5-9-23-18(13)15)17-19(14-6-3-2-4-7-14)25-21(22)27-12-24-26-20(17)27;21-20-24-18(13-5-2-1-3-6-13)17(19-25-23-12-26(19)20)15-8-9-16-14(11-15)7-4-10-22-16;20-15-7-12(6-13-8-22-9-14(13)15)16-17(11-4-2-1-3-5-11)24-19(21)26-10-23-25-18(16)26;1-10-7-12(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;1-10-7-12(8-13(18)21-10)14-15(11-5-3-2-4-6-11)22-17(19)24-9-20-23-16(14)24;15-14-19-12(9-4-2-1-3-5-9)11(10-6-16-17-7-10)13-20-18-8-21(13)14/h2-12H,1H3,(H2,22,25);1-12H,(H2,21,24);1-8,10H,9H2,(H2,21,24);2-9H,1H3,(H2,22,25);2-9H,1H3,(H2,19,22);1-8H,(H2,15,19)(H,16,17).

What are the key properties of 8-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(7-fluoro-1H-isoindol-5-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(8-methylquinolin-6-yl)-7-phenyl-[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;7-phenyl-8-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-phenyl-8-quinolin-6-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?

8-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(7-fluoro-1H-isoindol-5-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(8-methylquinolin-6-yl)-7-phenyl-[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;7-phenyl-8-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-phenyl-8-quinolin-6-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine has a molecular weight of 2019.54 g/mol, XLogP of 19.52, 12 rotatable bonds, 7 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(7-fluoro-1H-isoindol-5-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(8-methylquinolin-6-yl)-7-phenyl-[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;7-phenyl-8-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-phenyl-8-quinolin-6-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is sourced from PubChem (CID 159203965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).