5-(3-fluorophenyl)-6-(8-fluoroquinolin-6-yl)-1,2,4-triazin-3-amine;5-(4-fluorophenyl)-6-[4-(trideuteriomethyl)quinolin-6-yl]-1,2,4-triazin-3-amine;6-(3-fluoroquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;6-(4-methoxyquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;6-(8-methoxyquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine

C93H67F4N25O2 — CID 161455062

About 5-(3-fluorophenyl)-6-(8-fluoroquinolin-6-yl)-1,2,4-triazin-3-amine;5-(4-fluorophenyl)-6-[4-(trideuteriomethyl)quinolin-6-yl]-1,2,4-triazin-3-amine;6-(3-fluoroquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;6-(4-methoxyquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;6-(8-methoxyquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine

5-(3-fluorophenyl)-6-(8-fluoroquinolin-6-yl)-1,2,4-triazin-3-amine;5-(4-fluorophenyl)-6-[4-(trideuteriomethyl)quinolin-6-yl]-1,2,4-triazin-3-amine;6-(3-fluoroquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;6-(4-methoxyquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;6-(8-methoxyquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine (PubChem CID 161455062) has the molecular formula C93H67F4N25O2 and a molecular weight of 1645.74 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-6-(8-fluoroquinolin-6-yl)-1,2,4-triazin-3-amine;5-(4-fluorophenyl)-6-[4-(trideuteriomethyl)quinolin-6-yl]-1,2,4-triazin-3-amine;6-(3-fluoroquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;6-(4-methoxyquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;6-(8-methoxyquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine.

Molecular Properties

• Compound Name: 5-(3-fluorophenyl)-6-(8-fluoroquinolin-6-yl)-1,2,4-triazin-3-amine;5-(4-fluorophenyl)-6-[4-(trideuteriomethyl)quinolin-6-yl]-1,2,4-triazin-3-amine;6-(3-fluoroquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;6-(4-methoxyquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;6-(8-methoxyquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine
• PubChem CID: 161455062
• Molecular Formula: C93H67F4N25O2
• Molecular Weight: 1645.74 g/mol
• Exact Mass: 1644.60
• IUPAC Name: 5-(3-fluorophenyl)-6-(8-fluoroquinolin-6-yl)-1,2,4-triazin-3-amine;5-(4-fluorophenyl)-6-[4-(trideuteriomethyl)quinolin-6-yl]-1,2,4-triazin-3-amine;6-(3-fluoroquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;6-(4-methoxyquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;6-(8-methoxyquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine
• SMILES: COc1cc(-c2nnc(N)nc2-c2ccccc2)cc2cccnc12.COc1ccnc2ccc(-c3nnc(N)nc3-c3ccccc3)cc12.Nc1nnc(-c2cc(F)c3ncccc3c2)c(-c2cccc(F)c2)n1.Nc1nnc(-c2ccc3ncc(F)cc3c2)c(-c2ccccc2)n1.[2H]C([2H])([2H])c1ccnc2ccc(-c3nnc(N)nc3-c3ccc(F)cc3)cc12
• InChI: InChI=1S/C19H14FN5.2C19H15N5O.C18H11F2N5.C18H12FN5/c1-11-8-9-22-16-7-4-13(10-15(11)16)18-17(23-19(21)25-24-18)12-2-5-14(20)6-3-12;1-25-15-11-14(10-13-8-5-9-21-16(13)15)18-17(22-19(20)24-23-18)12-6-3-2-4-7-12;1-25-16-9-10-21-15-8-7-13(11-14(15)16)18-17(22-19(20)24-23-18)12-5-3-2-4-6-12;19-13-5-1-3-11(8-13)16-17(24-25-18(21)23-16)12-7-10-4-2-6-22-15(10)14(20)9-12;19-14-9-13-8-12(6-7-15(13)21-10-14)17-16(22-18(20)24-23-17)11-4-2-1-3-5-11/h2-10H,1H3,(H2,21,23,25);2*2-11H,1H3,(H2,20,22,24);1-9H,(H2,21,23,25);1-10H,(H2,20,22,24)/i1D3
• InChIKey: WBAUBNCXLGFNQG-HCUZFQMISA-N
• XLogP: 17.56
• TPSA: 406.36 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 13
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1645.74
LogP ≤ 5	17.56
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-6-(8-fluoroquinolin-6-yl)-1,2,4-triazin-3-amine;5-(4-fluorophenyl)-6-[4-(trideuteriomethyl)quinolin-6-yl]-1,2,4-triazin-3-amine;6-(3-fluoroquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;6-(4-methoxyquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;6-(8-methoxyquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine?

The IUPAC name of 5-(3-fluorophenyl)-6-(8-fluoroquinolin-6-yl)-1,2,4-triazin-3-amine;5-(4-fluorophenyl)-6-[4-(trideuteriomethyl)quinolin-6-yl]-1,2,4-triazin-3-amine;6-(3-fluoroquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;6-(4-methoxyquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;6-(8-methoxyquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine (CID 161455062) is 5-(3-fluorophenyl)-6-(8-fluoroquinolin-6-yl)-1,2,4-triazin-3-amine;5-(4-fluorophenyl)-6-[4-(trideuteriomethyl)quinolin-6-yl]-1,2,4-triazin-3-amine;6-(3-fluoroquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;6-(4-methoxyquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;6-(8-methoxyquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine.

What is the SMILES notation for 5-(3-fluorophenyl)-6-(8-fluoroquinolin-6-yl)-1,2,4-triazin-3-amine;5-(4-fluorophenyl)-6-[4-(trideuteriomethyl)quinolin-6-yl]-1,2,4-triazin-3-amine;6-(3-fluoroquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;6-(4-methoxyquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;6-(8-methoxyquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine?

The canonical SMILES for 5-(3-fluorophenyl)-6-(8-fluoroquinolin-6-yl)-1,2,4-triazin-3-amine;5-(4-fluorophenyl)-6-[4-(trideuteriomethyl)quinolin-6-yl]-1,2,4-triazin-3-amine;6-(3-fluoroquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;6-(4-methoxyquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;6-(8-methoxyquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine is COc1cc(-c2nnc(N)nc2-c2ccccc2)cc2cccnc12.COc1ccnc2ccc(-c3nnc(N)nc3-c3ccccc3)cc12.Nc1nnc(-c2cc(F)c3ncccc3c2)c(-c2cccc(F)c2)n1.Nc1nnc(-c2ccc3ncc(F)cc3c2)c(-c2ccccc2)n1.[2H]C([2H])([2H])c1ccnc2ccc(-c3nnc(N)nc3-c3ccc(F)cc3)cc12.

What is the InChIKey of 5-(3-fluorophenyl)-6-(8-fluoroquinolin-6-yl)-1,2,4-triazin-3-amine;5-(4-fluorophenyl)-6-[4-(trideuteriomethyl)quinolin-6-yl]-1,2,4-triazin-3-amine;6-(3-fluoroquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;6-(4-methoxyquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;6-(8-methoxyquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine?

The InChIKey is WBAUBNCXLGFNQG-HCUZFQMISA-N. The full InChI is InChI=1S/C19H14FN5.2C19H15N5O.C18H11F2N5.C18H12FN5/c1-11-8-9-22-16-7-4-13(10-15(11)16)18-17(23-19(21)25-24-18)12-2-5-14(20)6-3-12;1-25-15-11-14(10-13-8-5-9-21-16(13)15)18-17(22-19(20)24-23-18)12-6-3-2-4-7-12;1-25-16-9-10-21-15-8-7-13(11-14(15)16)18-17(22-19(20)24-23-18)12-5-3-2-4-6-12;19-13-5-1-3-11(8-13)16-17(24-25-18(21)23-16)12-7-10-4-2-6-22-15(10)14(20)9-12;19-14-9-13-8-12(6-7-15(13)21-10-14)17-16(22-18(20)24-23-17)11-4-2-1-3-5-11/h2-10H,1H3,(H2,21,23,25);2*2-11H,1H3,(H2,20,22,24);1-9H,(H2,21,23,25);1-10H,(H2,20,22,24)/i1D3;;;;.

What are the key properties of 5-(3-fluorophenyl)-6-(8-fluoroquinolin-6-yl)-1,2,4-triazin-3-amine;5-(4-fluorophenyl)-6-[4-(trideuteriomethyl)quinolin-6-yl]-1,2,4-triazin-3-amine;6-(3-fluoroquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;6-(4-methoxyquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;6-(8-methoxyquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine?

5-(3-fluorophenyl)-6-(8-fluoroquinolin-6-yl)-1,2,4-triazin-3-amine;5-(4-fluorophenyl)-6-[4-(trideuteriomethyl)quinolin-6-yl]-1,2,4-triazin-3-amine;6-(3-fluoroquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;6-(4-methoxyquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;6-(8-methoxyquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine has a molecular weight of 1645.74 g/mol, XLogP of 17.56, 13 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-fluorophenyl)-6-(8-fluoroquinolin-6-yl)-1,2,4-triazin-3-amine;5-(4-fluorophenyl)-6-[4-(trideuteriomethyl)quinolin-6-yl]-1,2,4-triazin-3-amine;6-(3-fluoroquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;6-(4-methoxyquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;6-(8-methoxyquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 161455062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).