5-(4-fluorophenyl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine;5-(furan-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine;6-(8-methylquinolin-6-yl)-5-thiophen-2-yl-1,2,4-triazin-3-amine;5-phenyl-6-(8-propan-2-ylquinolin-6-yl)-1,2,4-triazin-3-amine;5-phenyl-6-[8-(trifluoromethyl)quinolin-6-yl]-1,2,4-triazin-3-amine

C93H71F4N25OS — CID 160638417

IUPAC5-(4-fluorophenyl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine;5-(furan-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine;6-(8-methylquinolin-6-yl)-5-thiophen-2-yl-1,2,4-triazin-3-amine;5-phenyl-6-(8-propan-2-ylquinolin-6-yl)-1,2,4-triazin-3-amine;5-phenyl-6-[8-(trifluoromethyl)quinolin-6-yl]-1,2,4-triazin-3-amine
SMILESCC(C)c1cc(-c2nnc(N)nc2-c2ccccc2)cc2cccnc12.Cc1cc(-c2nnc(N)nc2-c2ccc(F)cc2)cc2cccnc12.Cc1cc(-c2nnc(N)nc2-c2ccco2)cc2cccnc12.Cc1cc(-c2nnc(N)nc2-c2cccs2)cc2cccnc12.Nc1nnc(-c2cc(C(F)(F)F)c3ncccc3c2)c(-c2ccccc2)n1
InChIInChI=1S/C21H19N5.C19H12F3N5.C19H14FN5.C17H13N5O.C17H13N5S/c1-13(2)17-12-16(11-15-9-6-10-23-18(15)17)20-19(24-21(22)26-25-20)14-7-4-3-5-8-14;20-19(21,22)14-10-13(9-12-7-4-8-24-15(12)14)17-16(25-18(23)27-26-17)11-5-2-1-3-6-11;1-11-9-14(10-13-3-2-8-22-16(11)13)18-17(23-19(21)25-24-18)12-4-6-15(20)7-5-12;2*1-10-8-12(9-11-4-2-6-19-14(10)11)15-16(13-5-3-7-23-13)20-17(18)22-21-15/h3-13H,1-2H3,(H2,22,24,26);1-10H,(H2,23,25,27);2-10H,1H3,(H2,21,23,25);2*2-9H,1H3,(H2,18,20,22)
InChIKeyRIVRIQALVJVDTK-UHFFFAOYSA-N
MW1662.82 g/mol
LogP19.54
Rot. Bonds11

About 5-(4-fluorophenyl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine;5-(furan-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine;6-(8-methylquinolin-6-yl)-5-thiophen-2-yl-1,2,4-triazin-3-amine;5-phenyl-6-(8-propan-2-ylquinolin-6-yl)-1,2,4-triazin-3-amine;5-phenyl-6-[8-(trifluoromethyl)quinolin-6-yl]-1,2,4-triazin-3-amine

5-(4-fluorophenyl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine;5-(furan-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine;6-(8-methylquinolin-6-yl)-5-thiophen-2-yl-1,2,4-triazin-3-amine;5-phenyl-6-(8-propan-2-ylquinolin-6-yl)-1,2,4-triazin-3-amine;5-phenyl-6-[8-(trifluoromethyl)quinolin-6-yl]-1,2,4-triazin-3-amine (PubChem CID 160638417) has the molecular formula C93H71F4N25OS and a molecular weight of 1662.82 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine;5-(furan-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine;6-(8-methylquinolin-6-yl)-5-thiophen-2-yl-1,2,4-triazin-3-amine;5-phenyl-6-(8-propan-2-ylquinolin-6-yl)-1,2,4-triazin-3-amine;5-phenyl-6-[8-(trifluoromethyl)quinolin-6-yl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine;5-(furan-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine;6-(8-methylquinolin-6-yl)-5-thiophen-2-yl-1,2,4-triazin-3-amine;5-phenyl-6-(8-propan-2-ylquinolin-6-yl)-1,2,4-triazin-3-amine;5-phenyl-6-[8-(trifluoromethyl)quinolin-6-yl]-1,2,4-triazin-3-amine
PubChem CID160638417
Molecular FormulaC93H71F4N25OS
Molecular Weight1662.82 g/mol
Exact Mass1661.59
IUPAC Name5-(4-fluorophenyl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine;5-(furan-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine;6-(8-methylquinolin-6-yl)-5-thiophen-2-yl-1,2,4-triazin-3-amine;5-phenyl-6-(8-propan-2-ylquinolin-6-yl)-1,2,4-triazin-3-amine;5-phenyl-6-[8-(trifluoromethyl)quinolin-6-yl]-1,2,4-triazin-3-amine
SMILESCC(C)c1cc(-c2nnc(N)nc2-c2ccccc2)cc2cccnc12.Cc1cc(-c2nnc(N)nc2-c2ccc(F)cc2)cc2cccnc12.Cc1cc(-c2nnc(N)nc2-c2ccco2)cc2cccnc12.Cc1cc(-c2nnc(N)nc2-c2cccs2)cc2cccnc12.Nc1nnc(-c2cc(C(F)(F)F)c3ncccc3c2)c(-c2ccccc2)n1
InChIInChI=1S/C21H19N5.C19H12F3N5.C19H14FN5.C17H13N5O.C17H13N5S/c1-13(2)17-12-16(11-15-9-6-10-23-18(15)17)20-19(24-21(22)26-25-20)14-7-4-3-5-8-14;20-19(21,22)14-10-13(9-12-7-4-8-24-15(12)14)17-16(25-18(23)27-26-17)11-5-2-1-3-6-11;1-11-9-14(10-13-3-2-8-22-16(11)13)18-17(23-19(21)25-24-18)12-4-6-15(20)7-5-12;2*1-10-8-12(9-11-4-2-6-19-14(10)11)15-16(13-5-3-7-23-13)20-17(18)22-21-15/h3-13H,1-2H3,(H2,22,24,26);1-10H,(H2,23,25,27);2-10H,1H3,(H2,21,23,25);2*2-9H,1H3,(H2,18,20,22)
InChIKeyRIVRIQALVJVDTK-UHFFFAOYSA-N
XLogP19.54
TPSA401.04 Ų
H-Bond Donors5
H-Bond Acceptors27
Rotatable Bonds11
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001662.82
LogP ≤ 519.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1027

Analyze 5-(4-fluorophenyl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine;5-(furan-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine;6-(8-methylquinolin-6-yl)-5-thiophen-2-yl-1,2,4-triazin-3-amine;5-phenyl-6-(8-propan-2-ylquinolin-6-yl)-1,2,4-triazin-3-amine;5-phenyl-6-[8-(trifluoromethyl)quinolin-6-yl]-1,2,4-triazin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine;5-(furan-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine;6-(8-methylquinolin-6-yl)-5-thiophen-2-yl-1,2,4-triazin-3-amine;5-phenyl-6-(8-propan-2-ylquinolin-6-yl)-1,2,4-triazin-3-amine;5-phenyl-6-[8-(trifluoromethyl)quinolin-6-yl]-1,2,4-triazin-3-amine?
The IUPAC name of 5-(4-fluorophenyl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine;5-(furan-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine;6-(8-methylquinolin-6-yl)-5-thiophen-2-yl-1,2,4-triazin-3-amine;5-phenyl-6-(8-propan-2-ylquinolin-6-yl)-1,2,4-triazin-3-amine;5-phenyl-6-[8-(trifluoromethyl)quinolin-6-yl]-1,2,4-triazin-3-amine (CID 160638417) is 5-(4-fluorophenyl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine;5-(furan-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine;6-(8-methylquinolin-6-yl)-5-thiophen-2-yl-1,2,4-triazin-3-amine;5-phenyl-6-(8-propan-2-ylquinolin-6-yl)-1,2,4-triazin-3-amine;5-phenyl-6-[8-(trifluoromethyl)quinolin-6-yl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine;5-(furan-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine;6-(8-methylquinolin-6-yl)-5-thiophen-2-yl-1,2,4-triazin-3-amine;5-phenyl-6-(8-propan-2-ylquinolin-6-yl)-1,2,4-triazin-3-amine;5-phenyl-6-[8-(trifluoromethyl)quinolin-6-yl]-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(4-fluorophenyl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine;5-(furan-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine;6-(8-methylquinolin-6-yl)-5-thiophen-2-yl-1,2,4-triazin-3-amine;5-phenyl-6-(8-propan-2-ylquinolin-6-yl)-1,2,4-triazin-3-amine;5-phenyl-6-[8-(trifluoromethyl)quinolin-6-yl]-1,2,4-triazin-3-amine is CC(C)c1cc(-c2nnc(N)nc2-c2ccccc2)cc2cccnc12.Cc1cc(-c2nnc(N)nc2-c2ccc(F)cc2)cc2cccnc12.Cc1cc(-c2nnc(N)nc2-c2ccco2)cc2cccnc12.Cc1cc(-c2nnc(N)nc2-c2cccs2)cc2cccnc12.Nc1nnc(-c2cc(C(F)(F)F)c3ncccc3c2)c(-c2ccccc2)n1.
What is the InChIKey of 5-(4-fluorophenyl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine;5-(furan-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine;6-(8-methylquinolin-6-yl)-5-thiophen-2-yl-1,2,4-triazin-3-amine;5-phenyl-6-(8-propan-2-ylquinolin-6-yl)-1,2,4-triazin-3-amine;5-phenyl-6-[8-(trifluoromethyl)quinolin-6-yl]-1,2,4-triazin-3-amine?
The InChIKey is RIVRIQALVJVDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5.C19H12F3N5.C19H14FN5.C17H13N5O.C17H13N5S/c1-13(2)17-12-16(11-15-9-6-10-23-18(15)17)20-19(24-21(22)26-25-20)14-7-4-3-5-8-14;20-19(21,22)14-10-13(9-12-7-4-8-24-15(12)14)17-16(25-18(23)27-26-17)11-5-2-1-3-6-11;1-11-9-14(10-13-3-2-8-22-16(11)13)18-17(23-19(21)25-24-18)12-4-6-15(20)7-5-12;2*1-10-8-12(9-11-4-2-6-19-14(10)11)15-16(13-5-3-7-23-13)20-17(18)22-21-15/h3-13H,1-2H3,(H2,22,24,26);1-10H,(H2,23,25,27);2-10H,1H3,(H2,21,23,25);2*2-9H,1H3,(H2,18,20,22).
What are the key properties of 5-(4-fluorophenyl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine;5-(furan-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine;6-(8-methylquinolin-6-yl)-5-thiophen-2-yl-1,2,4-triazin-3-amine;5-phenyl-6-(8-propan-2-ylquinolin-6-yl)-1,2,4-triazin-3-amine;5-phenyl-6-[8-(trifluoromethyl)quinolin-6-yl]-1,2,4-triazin-3-amine?
5-(4-fluorophenyl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine;5-(furan-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine;6-(8-methylquinolin-6-yl)-5-thiophen-2-yl-1,2,4-triazin-3-amine;5-phenyl-6-(8-propan-2-ylquinolin-6-yl)-1,2,4-triazin-3-amine;5-phenyl-6-[8-(trifluoromethyl)quinolin-6-yl]-1,2,4-triazin-3-amine has a molecular weight of 1662.82 g/mol, XLogP of 19.54, 11 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine;5-(furan-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine;6-(8-methylquinolin-6-yl)-5-thiophen-2-yl-1,2,4-triazin-3-amine;5-phenyl-6-(8-propan-2-ylquinolin-6-yl)-1,2,4-triazin-3-amine;5-phenyl-6-[8-(trifluoromethyl)quinolin-6-yl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 160638417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).