6-(4-ethylquinazolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-[5-(4-fluorophenyl)-3-methyl-1,2,4-triazin-6-yl]-4-methoxyquinazoline;5-(4-fluorophenyl)-6-[4-(trideuteriomethyl)quinazolin-6-yl]-1,2,4-triazin-3-amine;5-(4-fluorophenyl)-6-[4-(trifluoromethyl)quinolin-6-yl]-1,2,4-triazin-3-amine

C75H53F7N22O — CID 161012759

About 6-(4-ethylquinazolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-[5-(4-fluorophenyl)-3-methyl-1,2,4-triazin-6-yl]-4-methoxyquinazoline;5-(4-fluorophenyl)-6-[4-(trideuteriomethyl)quinazolin-6-yl]-1,2,4-triazin-3-amine;5-(4-fluorophenyl)-6-[4-(trifluoromethyl)quinolin-6-yl]-1,2,4-triazin-3-amine

6-(4-ethylquinazolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-[5-(4-fluorophenyl)-3-methyl-1,2,4-triazin-6-yl]-4-methoxyquinazoline;5-(4-fluorophenyl)-6-[4-(trideuteriomethyl)quinazolin-6-yl]-1,2,4-triazin-3-amine;5-(4-fluorophenyl)-6-[4-(trifluoromethyl)quinolin-6-yl]-1,2,4-triazin-3-amine (PubChem CID 161012759) has the molecular formula C75H53F7N22O and a molecular weight of 1414.41 g/mol. Its IUPAC name is 6-(4-ethylquinazolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-[5-(4-fluorophenyl)-3-methyl-1,2,4-triazin-6-yl]-4-methoxyquinazoline;5-(4-fluorophenyl)-6-[4-(trideuteriomethyl)quinazolin-6-yl]-1,2,4-triazin-3-amine;5-(4-fluorophenyl)-6-[4-(trifluoromethyl)quinolin-6-yl]-1,2,4-triazin-3-amine.

Molecular Properties

• Compound Name: 6-(4-ethylquinazolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-[5-(4-fluorophenyl)-3-methyl-1,2,4-triazin-6-yl]-4-methoxyquinazoline;5-(4-fluorophenyl)-6-[4-(trideuteriomethyl)quinazolin-6-yl]-1,2,4-triazin-3-amine;5-(4-fluorophenyl)-6-[4-(trifluoromethyl)quinolin-6-yl]-1,2,4-triazin-3-amine
• PubChem CID: 161012759
• Molecular Formula: C75H53F7N22O
• Molecular Weight: 1414.41 g/mol
• Exact Mass: 1413.48
• IUPAC Name: 6-(4-ethylquinazolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-[5-(4-fluorophenyl)-3-methyl-1,2,4-triazin-6-yl]-4-methoxyquinazoline;5-(4-fluorophenyl)-6-[4-(trideuteriomethyl)quinazolin-6-yl]-1,2,4-triazin-3-amine;5-(4-fluorophenyl)-6-[4-(trifluoromethyl)quinolin-6-yl]-1,2,4-triazin-3-amine
• SMILES: CCc1ncnc2ccc(-c3nnc(N)nc3-c3ccc(F)cc3)cc12.COc1ncnc2ccc(-c3nnc(C)nc3-c3ccc(F)cc3)cc12.Nc1nnc(-c2ccc3nccc(C(F)(F)F)c3c2)c(-c2ccc(F)cc2)n1.[2H]C([2H])([2H])c1ncnc2ccc(-c3nnc(N)nc3-c3ccc(F)cc3)cc12
• InChI: InChI=1S/C19H11F4N5.C19H15FN6.C19H14FN5O.C18H13FN6/c20-12-4-1-10(2-5-12)16-17(27-28-18(24)26-16)11-3-6-15-13(9-11)14(7-8-25-15)19(21,22)23;1-2-15-14-9-12(5-8-16(14)23-10-22-15)18-17(24-19(21)26-25-18)11-3-6-13(20)7-4-11;1-11-23-17(12-3-6-14(20)7-4-12)18(25-24-11)13-5-8-16-15(9-13)19(26-2)22-10-21-16;1-10-14-8-12(4-7-15(14)22-9-21-10)17-16(23-18(20)25-24-17)11-2-5-13(19)6-3-11/h1-9H,(H2,24,26,28);3-10H,2H2,1H3,(H2,21,24,26);3-10H,1-2H3;2-9H,1H3,(H2,20,23,25)/i;;;1D3
• InChIKey: TXINORGWLBBWGM-VYWVDSBRSA-N
• XLogP: 14.71
• TPSA: 332.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 11
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1414.41
LogP ≤ 5	14.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylquinazolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-[5-(4-fluorophenyl)-3-methyl-1,2,4-triazin-6-yl]-4-methoxyquinazoline;5-(4-fluorophenyl)-6-[4-(trideuteriomethyl)quinazolin-6-yl]-1,2,4-triazin-3-amine;5-(4-fluorophenyl)-6-[4-(trifluoromethyl)quinolin-6-yl]-1,2,4-triazin-3-amine?

The IUPAC name of 6-(4-ethylquinazolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-[5-(4-fluorophenyl)-3-methyl-1,2,4-triazin-6-yl]-4-methoxyquinazoline;5-(4-fluorophenyl)-6-[4-(trideuteriomethyl)quinazolin-6-yl]-1,2,4-triazin-3-amine;5-(4-fluorophenyl)-6-[4-(trifluoromethyl)quinolin-6-yl]-1,2,4-triazin-3-amine (CID 161012759) is 6-(4-ethylquinazolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-[5-(4-fluorophenyl)-3-methyl-1,2,4-triazin-6-yl]-4-methoxyquinazoline;5-(4-fluorophenyl)-6-[4-(trideuteriomethyl)quinazolin-6-yl]-1,2,4-triazin-3-amine;5-(4-fluorophenyl)-6-[4-(trifluoromethyl)quinolin-6-yl]-1,2,4-triazin-3-amine.

What is the SMILES notation for 6-(4-ethylquinazolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-[5-(4-fluorophenyl)-3-methyl-1,2,4-triazin-6-yl]-4-methoxyquinazoline;5-(4-fluorophenyl)-6-[4-(trideuteriomethyl)quinazolin-6-yl]-1,2,4-triazin-3-amine;5-(4-fluorophenyl)-6-[4-(trifluoromethyl)quinolin-6-yl]-1,2,4-triazin-3-amine?

The canonical SMILES for 6-(4-ethylquinazolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-[5-(4-fluorophenyl)-3-methyl-1,2,4-triazin-6-yl]-4-methoxyquinazoline;5-(4-fluorophenyl)-6-[4-(trideuteriomethyl)quinazolin-6-yl]-1,2,4-triazin-3-amine;5-(4-fluorophenyl)-6-[4-(trifluoromethyl)quinolin-6-yl]-1,2,4-triazin-3-amine is CCc1ncnc2ccc(-c3nnc(N)nc3-c3ccc(F)cc3)cc12.COc1ncnc2ccc(-c3nnc(C)nc3-c3ccc(F)cc3)cc12.Nc1nnc(-c2ccc3nccc(C(F)(F)F)c3c2)c(-c2ccc(F)cc2)n1.[2H]C([2H])([2H])c1ncnc2ccc(-c3nnc(N)nc3-c3ccc(F)cc3)cc12.

What is the InChIKey of 6-(4-ethylquinazolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-[5-(4-fluorophenyl)-3-methyl-1,2,4-triazin-6-yl]-4-methoxyquinazoline;5-(4-fluorophenyl)-6-[4-(trideuteriomethyl)quinazolin-6-yl]-1,2,4-triazin-3-amine;5-(4-fluorophenyl)-6-[4-(trifluoromethyl)quinolin-6-yl]-1,2,4-triazin-3-amine?

The InChIKey is TXINORGWLBBWGM-VYWVDSBRSA-N. The full InChI is InChI=1S/C19H11F4N5.C19H15FN6.C19H14FN5O.C18H13FN6/c20-12-4-1-10(2-5-12)16-17(27-28-18(24)26-16)11-3-6-15-13(9-11)14(7-8-25-15)19(21,22)23;1-2-15-14-9-12(5-8-16(14)23-10-22-15)18-17(24-19(21)26-25-18)11-3-6-13(20)7-4-11;1-11-23-17(12-3-6-14(20)7-4-12)18(25-24-11)13-5-8-16-15(9-13)19(26-2)22-10-21-16;1-10-14-8-12(4-7-15(14)22-9-21-10)17-16(23-18(20)25-24-17)11-2-5-13(19)6-3-11/h1-9H,(H2,24,26,28);3-10H,2H2,1H3,(H2,21,24,26);3-10H,1-2H3;2-9H,1H3,(H2,20,23,25)/i;;;1D3.

What are the key properties of 6-(4-ethylquinazolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-[5-(4-fluorophenyl)-3-methyl-1,2,4-triazin-6-yl]-4-methoxyquinazoline;5-(4-fluorophenyl)-6-[4-(trideuteriomethyl)quinazolin-6-yl]-1,2,4-triazin-3-amine;5-(4-fluorophenyl)-6-[4-(trifluoromethyl)quinolin-6-yl]-1,2,4-triazin-3-amine?

6-(4-ethylquinazolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-[5-(4-fluorophenyl)-3-methyl-1,2,4-triazin-6-yl]-4-methoxyquinazoline;5-(4-fluorophenyl)-6-[4-(trideuteriomethyl)quinazolin-6-yl]-1,2,4-triazin-3-amine;5-(4-fluorophenyl)-6-[4-(trifluoromethyl)quinolin-6-yl]-1,2,4-triazin-3-amine has a molecular weight of 1414.41 g/mol, XLogP of 14.71, 11 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-ethylquinazolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-[5-(4-fluorophenyl)-3-methyl-1,2,4-triazin-6-yl]-4-methoxyquinazoline;5-(4-fluorophenyl)-6-[4-(trideuteriomethyl)quinazolin-6-yl]-1,2,4-triazin-3-amine;5-(4-fluorophenyl)-6-[4-(trifluoromethyl)quinolin-6-yl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 161012759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).