[5-amino-8-(2H-benzotriazol-5-yl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;[5-amino-8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;[5-amino-7-(4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;8-(2H-benzotriazol-5-yl)-7-(4-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-2-methyl-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-fluorophenyl)-2-methyl-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C110H86ClF11N40O4 — CID 161080827

About [5-amino-8-(2H-benzotriazol-5-yl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;[5-amino-8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;[5-amino-7-(4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;8-(2H-benzotriazol-5-yl)-7-(4-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-2-methyl-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-fluorophenyl)-2-methyl-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

[5-amino-8-(2H-benzotriazol-5-yl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;[5-amino-8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;[5-amino-7-(4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;8-(2H-benzotriazol-5-yl)-7-(4-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-2-methyl-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-fluorophenyl)-2-methyl-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 161080827) has the molecular formula C110H86ClF11N40O4 and a molecular weight of 2276.60 g/mol. Its IUPAC name is [5-amino-8-(2H-benzotriazol-5-yl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;[5-amino-8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;[5-amino-7-(4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;8-(2H-benzotriazol-5-yl)-7-(4-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-2-methyl-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-fluorophenyl)-2-methyl-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

• Compound Name: [5-amino-8-(2H-benzotriazol-5-yl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;[5-amino-8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;[5-amino-7-(4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;8-(2H-benzotriazol-5-yl)-7-(4-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-2-methyl-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-fluorophenyl)-2-methyl-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
• PubChem CID: 161080827
• Molecular Formula: C110H86ClF11N40O4
• Molecular Weight: 2276.60 g/mol
• Exact Mass: 2274.73
• IUPAC Name: [5-amino-8-(2H-benzotriazol-5-yl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;[5-amino-8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;[5-amino-7-(4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;8-(2H-benzotriazol-5-yl)-7-(4-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-2-methyl-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-fluorophenyl)-2-methyl-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
• SMILES: Cc1cc(-c2c(-c3ccc(C)o3)nc(N)n3nc(C)nc23)cc(C)n1.Cc1cc(-c2c(-c3ccc(F)cc3)nc(N)n3nc(C)nc23)cc(C(F)(F)F)n1.Cc1cc(-c2c(-c3ccc(F)cc3)nc(N)n3nc(CO)nc23)cc(C(F)(F)F)n1.Cc1cc(-c2c(-c3ccc(F)cc3)nc(N)n3nc(CO)nc23)cc(Cl)n1.Cc1nc2c(-c3ccc4n[nH]nc4c3)c(-c3ccc(F)cc3)nc(N)n2n1.Nc1nc(-c2ccc(F)cc2)c(-c2ccc3n[nH]nc3c2)c2nc(CO)nn12
• InChI: InChI=1S/C19H14F4N6O.C19H14F4N6.C18H14ClFN6O.C18H13FN8O.C18H13FN8.C18H18N6O/c1-9-6-11(7-13(25-9)19(21,22)23)15-16(10-2-4-12(20)5-3-10)27-18(24)29-17(15)26-14(8-30)28-29;1-9-7-12(8-14(25-9)19(21,22)23)15-16(11-3-5-13(20)6-4-11)27-18(24)29-17(15)26-10(2)28-29;1-9-6-11(7-13(19)22-9)15-16(10-2-4-12(20)5-3-10)24-18(21)26-17(15)23-14(8-27)25-26;19-11-4-1-9(2-5-11)16-15(10-3-6-12-13(7-10)24-26-23-12)17-21-14(8-28)25-27(17)18(20)22-16;1-9-21-17-15(11-4-7-13-14(8-11)24-26-23-13)16(22-18(20)27(17)25-9)10-2-5-12(19)6-3-10;1-9-7-13(8-10(2)20-9)15-16(14-6-5-11(3)25-14)22-18(19)24-17(15)21-12(4)23-24/h2-7,30H,8H2,1H3,(H2,24,27);3-8H,1-2H3,(H2,24,27);2-7,27H,8H2,1H3,(H2,21,24);1-7,28H,8H2,(H2,20,22)(H,23,24,26);2-8H,1H3,(H2,20,22)(H,23,24,26);5-8H,1-4H3,(H2,19,22)
• InChIKey: UFWSCVPFFUGFMB-UHFFFAOYSA-N
• XLogP: 18.60
• TPSA: 623.13 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 42
• Rotatable Bonds: 15
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2276.60
LogP ≤ 5	18.60
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [5-amino-8-(2H-benzotriazol-5-yl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;[5-amino-8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;[5-amino-7-(4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;8-(2H-benzotriazol-5-yl)-7-(4-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-2-methyl-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-fluorophenyl)-2-methyl-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?

The IUPAC name of [5-amino-8-(2H-benzotriazol-5-yl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;[5-amino-8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;[5-amino-7-(4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;8-(2H-benzotriazol-5-yl)-7-(4-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-2-methyl-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-fluorophenyl)-2-methyl-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 161080827) is [5-amino-8-(2H-benzotriazol-5-yl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;[5-amino-8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;[5-amino-7-(4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;8-(2H-benzotriazol-5-yl)-7-(4-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-2-methyl-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-fluorophenyl)-2-methyl-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

What is the SMILES notation for [5-amino-8-(2H-benzotriazol-5-yl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;[5-amino-8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;[5-amino-7-(4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;8-(2H-benzotriazol-5-yl)-7-(4-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-2-methyl-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-fluorophenyl)-2-methyl-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?

The canonical SMILES for [5-amino-8-(2H-benzotriazol-5-yl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;[5-amino-8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;[5-amino-7-(4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;8-(2H-benzotriazol-5-yl)-7-(4-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-2-methyl-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-fluorophenyl)-2-methyl-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is Cc1cc(-c2c(-c3ccc(C)o3)nc(N)n3nc(C)nc23)cc(C)n1.Cc1cc(-c2c(-c3ccc(F)cc3)nc(N)n3nc(C)nc23)cc(C(F)(F)F)n1.Cc1cc(-c2c(-c3ccc(F)cc3)nc(N)n3nc(CO)nc23)cc(C(F)(F)F)n1.Cc1cc(-c2c(-c3ccc(F)cc3)nc(N)n3nc(CO)nc23)cc(Cl)n1.Cc1nc2c(-c3ccc4n[nH]nc4c3)c(-c3ccc(F)cc3)nc(N)n2n1.Nc1nc(-c2ccc(F)cc2)c(-c2ccc3n[nH]nc3c2)c2nc(CO)nn12.

What is the InChIKey of [5-amino-8-(2H-benzotriazol-5-yl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;[5-amino-8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;[5-amino-7-(4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;8-(2H-benzotriazol-5-yl)-7-(4-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-2-methyl-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-fluorophenyl)-2-methyl-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?

The InChIKey is UFWSCVPFFUGFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F4N6O.C19H14F4N6.C18H14ClFN6O.C18H13FN8O.C18H13FN8.C18H18N6O/c1-9-6-11(7-13(25-9)19(21,22)23)15-16(10-2-4-12(20)5-3-10)27-18(24)29-17(15)26-14(8-30)28-29;1-9-7-12(8-14(25-9)19(21,22)23)15-16(11-3-5-13(20)6-4-11)27-18(24)29-17(15)26-10(2)28-29;1-9-6-11(7-13(19)22-9)15-16(10-2-4-12(20)5-3-10)24-18(21)26-17(15)23-14(8-27)25-26;19-11-4-1-9(2-5-11)16-15(10-3-6-12-13(7-10)24-26-23-12)17-21-14(8-28)25-27(17)18(20)22-16;1-9-21-17-15(11-4-7-13-14(8-11)24-26-23-13)16(22-18(20)27(17)25-9)10-2-5-12(19)6-3-10;1-9-7-13(8-10(2)20-9)15-16(14-6-5-11(3)25-14)22-18(19)24-17(15)21-12(4)23-24/h2-7,30H,8H2,1H3,(H2,24,27);3-8H,1-2H3,(H2,24,27);2-7,27H,8H2,1H3,(H2,21,24);1-7,28H,8H2,(H2,20,22)(H,23,24,26);2-8H,1H3,(H2,20,22)(H,23,24,26);5-8H,1-4H3,(H2,19,22).

What are the key properties of [5-amino-8-(2H-benzotriazol-5-yl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;[5-amino-8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;[5-amino-7-(4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;8-(2H-benzotriazol-5-yl)-7-(4-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-2-methyl-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-fluorophenyl)-2-methyl-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?

[5-amino-8-(2H-benzotriazol-5-yl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;[5-amino-8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;[5-amino-7-(4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;8-(2H-benzotriazol-5-yl)-7-(4-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-2-methyl-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-fluorophenyl)-2-methyl-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 2276.60 g/mol, XLogP of 18.60, 15 rotatable bonds, 11 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for [5-amino-8-(2H-benzotriazol-5-yl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;[5-amino-8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;[5-amino-7-(4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;8-(2H-benzotriazol-5-yl)-7-(4-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-2-methyl-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-fluorophenyl)-2-methyl-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 161080827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).