5-(5-amino-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl)-1-propan-2-ylpyridin-2-one;7-(2-chloro-4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-[2-chloro-6-(morpholin-4-ylmethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2-cyclopropyl-6-methyl-4-pyridinyl)-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

C95H77Cl2F8N31O2 — CID 160661924

About 5-(5-amino-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl)-1-propan-2-ylpyridin-2-one;7-(2-chloro-4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-[2-chloro-6-(morpholin-4-ylmethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2-cyclopropyl-6-methyl-4-pyridinyl)-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

5-(5-amino-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl)-1-propan-2-ylpyridin-2-one;7-(2-chloro-4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-[2-chloro-6-(morpholin-4-ylmethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2-cyclopropyl-6-methyl-4-pyridinyl)-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (PubChem CID 160661924) has the molecular formula C95H77Cl2F8N31O2 and a molecular weight of 1907.77 g/mol. Its IUPAC name is 5-(5-amino-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl)-1-propan-2-ylpyridin-2-one;7-(2-chloro-4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-[2-chloro-6-(morpholin-4-ylmethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2-cyclopropyl-6-methyl-4-pyridinyl)-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine.

Molecular Properties

• Compound Name: 5-(5-amino-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl)-1-propan-2-ylpyridin-2-one;7-(2-chloro-4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-[2-chloro-6-(morpholin-4-ylmethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2-cyclopropyl-6-methyl-4-pyridinyl)-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
• PubChem CID: 160661924
• Molecular Formula: C95H77Cl2F8N31O2
• Molecular Weight: 1907.77 g/mol
• Exact Mass: 1905.61
• IUPAC Name: 5-(5-amino-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl)-1-propan-2-ylpyridin-2-one;7-(2-chloro-4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-[2-chloro-6-(morpholin-4-ylmethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2-cyclopropyl-6-methyl-4-pyridinyl)-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
• SMILES: CC(C)n1cc(-c2c(-c3ccccc3)nc(N)n3cnnc23)ccc1=O.Cc1cc(-c2c(-c3ccc(F)cc3Cl)nc(N)n3cnnc23)cc(C(F)(F)F)n1.Cc1cc(-c2c(-c3ccc(F)cc3F)nc(N)n3cnnc23)cc(C2CC2)n1.Cc1cc(-c2c(-c3ccc(F)cc3F)nc(N)n3cnnc23)ccn1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)nc(CN3CCOCC3)c2)c2nncn12
• InChI: InChI=1S/C21H20ClN7O.C20H16F2N6.C19H18N6O.C18H11ClF4N6.C17H12F2N6/c22-17-11-15(10-16(25-17)12-28-6-8-30-9-7-28)18-19(14-4-2-1-3-5-14)26-21(23)29-13-24-27-20(18)29;1-10-6-12(7-16(25-10)11-2-3-11)17-18(14-5-4-13(21)8-15(14)22)26-20(23)28-9-24-27-19(17)28;1-12(2)24-10-14(8-9-15(24)26)16-17(13-6-4-3-5-7-13)22-19(20)25-11-21-23-18(16)25;1-8-4-9(5-13(26-8)18(21,22)23)14-15(11-3-2-10(20)6-12(11)19)27-17(24)29-7-25-28-16(14)29;1-9-6-10(4-5-21-9)14-15(12-3-2-11(18)7-13(12)19)23-17(20)25-8-22-24-16(14)25/h1-5,10-11,13H,6-9,12H2,(H2,23,26);4-9,11H,2-3H2,1H3,(H2,23,26);3-12H,1-2H3,(H2,20,22);2-7H,1H3,(H2,24,27);2-8H,1H3,(H2,20,23)
• InChIKey: RLUAZPXWSOGMDC-UHFFFAOYSA-N
• XLogP: 17.18
• TPSA: 431.53 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 33
• Rotatable Bonds: 14
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1907.77
LogP ≤ 5	17.18
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl)-1-propan-2-ylpyridin-2-one;7-(2-chloro-4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-[2-chloro-6-(morpholin-4-ylmethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2-cyclopropyl-6-methyl-4-pyridinyl)-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?

The IUPAC name of 5-(5-amino-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl)-1-propan-2-ylpyridin-2-one;7-(2-chloro-4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-[2-chloro-6-(morpholin-4-ylmethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2-cyclopropyl-6-methyl-4-pyridinyl)-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (CID 160661924) is 5-(5-amino-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl)-1-propan-2-ylpyridin-2-one;7-(2-chloro-4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-[2-chloro-6-(morpholin-4-ylmethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2-cyclopropyl-6-methyl-4-pyridinyl)-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine.

What is the SMILES notation for 5-(5-amino-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl)-1-propan-2-ylpyridin-2-one;7-(2-chloro-4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-[2-chloro-6-(morpholin-4-ylmethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2-cyclopropyl-6-methyl-4-pyridinyl)-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?

The canonical SMILES for 5-(5-amino-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl)-1-propan-2-ylpyridin-2-one;7-(2-chloro-4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-[2-chloro-6-(morpholin-4-ylmethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2-cyclopropyl-6-methyl-4-pyridinyl)-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is CC(C)n1cc(-c2c(-c3ccccc3)nc(N)n3cnnc23)ccc1=O.Cc1cc(-c2c(-c3ccc(F)cc3Cl)nc(N)n3cnnc23)cc(C(F)(F)F)n1.Cc1cc(-c2c(-c3ccc(F)cc3F)nc(N)n3cnnc23)cc(C2CC2)n1.Cc1cc(-c2c(-c3ccc(F)cc3F)nc(N)n3cnnc23)ccn1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)nc(CN3CCOCC3)c2)c2nncn12.

What is the InChIKey of 5-(5-amino-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl)-1-propan-2-ylpyridin-2-one;7-(2-chloro-4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-[2-chloro-6-(morpholin-4-ylmethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2-cyclopropyl-6-methyl-4-pyridinyl)-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?

The InChIKey is RLUAZPXWSOGMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN7O.C20H16F2N6.C19H18N6O.C18H11ClF4N6.C17H12F2N6/c22-17-11-15(10-16(25-17)12-28-6-8-30-9-7-28)18-19(14-4-2-1-3-5-14)26-21(23)29-13-24-27-20(18)29;1-10-6-12(7-16(25-10)11-2-3-11)17-18(14-5-4-13(21)8-15(14)22)26-20(23)28-9-24-27-19(17)28;1-12(2)24-10-14(8-9-15(24)26)16-17(13-6-4-3-5-7-13)22-19(20)25-11-21-23-18(16)25;1-8-4-9(5-13(26-8)18(21,22)23)14-15(11-3-2-10(20)6-12(11)19)27-17(24)29-7-25-28-16(14)29;1-9-6-10(4-5-21-9)14-15(12-3-2-11(18)7-13(12)19)23-17(20)25-8-22-24-16(14)25/h1-5,10-11,13H,6-9,12H2,(H2,23,26);4-9,11H,2-3H2,1H3,(H2,23,26);3-12H,1-2H3,(H2,20,22);2-7H,1H3,(H2,24,27);2-8H,1H3,(H2,20,23).

What are the key properties of 5-(5-amino-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl)-1-propan-2-ylpyridin-2-one;7-(2-chloro-4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-[2-chloro-6-(morpholin-4-ylmethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2-cyclopropyl-6-methyl-4-pyridinyl)-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?

5-(5-amino-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl)-1-propan-2-ylpyridin-2-one;7-(2-chloro-4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-[2-chloro-6-(morpholin-4-ylmethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2-cyclopropyl-6-methyl-4-pyridinyl)-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine has a molecular weight of 1907.77 g/mol, XLogP of 17.18, 14 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-amino-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl)-1-propan-2-ylpyridin-2-one;7-(2-chloro-4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-[2-chloro-6-(morpholin-4-ylmethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2-cyclopropyl-6-methyl-4-pyridinyl)-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is sourced from PubChem (CID 160661924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).