6-[4-(difluoromethyl)quinolin-6-yl]-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-(4-ethylquinazolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-(8-fluoro-4-methylquinazolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;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

C93H63F11N28 — CID 162056774

IUPAC6-[4-(difluoromethyl)quinolin-6-yl]-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-(4-ethylquinazolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-(8-fluoro-4-methylquinazolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;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
SMILESCCc1ncnc2ccc(-c3nnc(N)nc3-c3ccc(F)cc3)cc12.Cc1ncnc2c(F)cc(-c3nnc(N)nc3-c3ccc(F)cc3)cc12.Nc1nnc(-c2ccc3nccc(C(F)(F)F)c3c2)c(-c2ccc(F)cc2)n1.Nc1nnc(-c2ccc3nccc(C(F)F)c3c2)c(-c2ccc(F)cc2)n1.[2H]C([2H])([2H])c1ncnc2ccc(-c3nnc(N)nc3-c3ccc(F)cc3)cc12
InChIInChI=1S/C19H11F4N5.C19H12F3N5.C19H15FN6.C18H12F2N6.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;20-12-4-1-10(2-5-12)16-17(26-27-19(23)25-16)11-3-6-15-14(9-11)13(18(21)22)7-8-24-15;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;1-9-13-6-11(7-14(20)17(13)23-8-22-9)16-15(24-18(21)26-25-16)10-2-4-12(19)5-3-10;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);1-9,18H,(H2,23,25,27);3-10H,2H2,1H3,(H2,21,24,26);2-8H,1H3,(H2,21,24,26);2-9H,1H3,(H2,20,23,25)/i;;;;1D3
InChIKeyYZHFKSXLTHPSGH-SKUNORNJSA-N
MW1784.72 g/mol
LogP18.84
Rot. Bonds13

About 6-[4-(difluoromethyl)quinolin-6-yl]-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-(4-ethylquinazolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-(8-fluoro-4-methylquinazolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;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-(difluoromethyl)quinolin-6-yl]-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-(4-ethylquinazolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-(8-fluoro-4-methylquinazolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;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 162056774) has the molecular formula C93H63F11N28 and a molecular weight of 1784.72 g/mol. Its IUPAC name is 6-[4-(difluoromethyl)quinolin-6-yl]-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-(4-ethylquinazolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-(8-fluoro-4-methylquinazolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;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 Name6-[4-(difluoromethyl)quinolin-6-yl]-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-(4-ethylquinazolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-(8-fluoro-4-methylquinazolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;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 CID162056774
Molecular FormulaC93H63F11N28
Molecular Weight1784.72 g/mol
Exact Mass1783.58
IUPAC Name6-[4-(difluoromethyl)quinolin-6-yl]-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-(4-ethylquinazolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-(8-fluoro-4-methylquinazolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;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
SMILESCCc1ncnc2ccc(-c3nnc(N)nc3-c3ccc(F)cc3)cc12.Cc1ncnc2c(F)cc(-c3nnc(N)nc3-c3ccc(F)cc3)cc12.Nc1nnc(-c2ccc3nccc(C(F)(F)F)c3c2)c(-c2ccc(F)cc2)n1.Nc1nnc(-c2ccc3nccc(C(F)F)c3c2)c(-c2ccc(F)cc2)n1.[2H]C([2H])([2H])c1ncnc2ccc(-c3nnc(N)nc3-c3ccc(F)cc3)cc12
InChIInChI=1S/C19H11F4N5.C19H12F3N5.C19H15FN6.C18H12F2N6.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;20-12-4-1-10(2-5-12)16-17(26-27-19(23)25-16)11-3-6-15-14(9-11)13(18(21)22)7-8-24-15;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;1-9-13-6-11(7-14(20)17(13)23-8-22-9)16-15(24-18(21)26-25-16)10-2-4-12(19)5-3-10;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);1-9,18H,(H2,23,25,27);3-10H,2H2,1H3,(H2,21,24,26);2-8H,1H3,(H2,21,24,26);2-9H,1H3,(H2,20,23,25)/i;;;;1D3
InChIKeyYZHFKSXLTHPSGH-SKUNORNJSA-N
XLogP18.84
TPSA426.57 Ų
H-Bond Donors5
H-Bond Acceptors28
Rotatable Bonds13
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001784.72
LogP ≤ 518.84
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1028

Analyze 6-[4-(difluoromethyl)quinolin-6-yl]-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-(4-ethylquinazolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-(8-fluoro-4-methylquinazolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;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 with MolForge

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Related Compounds

5,7-Difluoro-3-(1-methylpyrazol-4-yl)-6-[1-(5-pyridin-4-yltriazolo[4,5-b]pyrazin-3-yl)ethyl]quinoline
CID 137652089
7-(2,6-dimethylphenyl)-5-methyl-N-(pyridin-4-yl)benzo[e][1,2,4]triazin-3-amine
CID 11588163
Alk5-IN-28
CID 163404129
Alk5-IN-26
CID 163404151
7-(4-Fluorophenyl)-2-((3-fluoropyridin-2-yl) methyl)-8-(quinolin-6-yl)-[l,2,4]triazolo[l,5-c] pyrimidin-5-amine
CID 146490642
US11702418, Example 12-60
CID 156526944
5-fluoro-2-N-[2-fluoro-5-(piperazin-1-ylmethyl)phenyl]-4-N-(8-methylcinnolin-4-yl)pyrimidine-2,4-diamine
CID 168291160
Alk5-IN-29
CID 163404071
Alk5-IN-31
CID 163404082
Alk5-IN-30
CID 163404095
4-N-(7-fluoro-8-methylcinnolin-4-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 163404119
Alk5-IN-25
CID 163404153

Frequently Asked Questions

What is the IUPAC name of 6-[4-(difluoromethyl)quinolin-6-yl]-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-(4-ethylquinazolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-(8-fluoro-4-methylquinazolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;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-(difluoromethyl)quinolin-6-yl]-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-(4-ethylquinazolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-(8-fluoro-4-methylquinazolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;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 162056774) is 6-[4-(difluoromethyl)quinolin-6-yl]-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-(4-ethylquinazolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-(8-fluoro-4-methylquinazolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;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-(difluoromethyl)quinolin-6-yl]-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-(4-ethylquinazolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-(8-fluoro-4-methylquinazolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;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-(difluoromethyl)quinolin-6-yl]-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-(4-ethylquinazolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-(8-fluoro-4-methylquinazolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;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.Cc1ncnc2c(F)cc(-c3nnc(N)nc3-c3ccc(F)cc3)cc12.Nc1nnc(-c2ccc3nccc(C(F)(F)F)c3c2)c(-c2ccc(F)cc2)n1.Nc1nnc(-c2ccc3nccc(C(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-(difluoromethyl)quinolin-6-yl]-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-(4-ethylquinazolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-(8-fluoro-4-methylquinazolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;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 YZHFKSXLTHPSGH-SKUNORNJSA-N. The full InChI is InChI=1S/C19H11F4N5.C19H12F3N5.C19H15FN6.C18H12F2N6.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;20-12-4-1-10(2-5-12)16-17(26-27-19(23)25-16)11-3-6-15-14(9-11)13(18(21)22)7-8-24-15;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;1-9-13-6-11(7-14(20)17(13)23-8-22-9)16-15(24-18(21)26-25-16)10-2-4-12(19)5-3-10;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);1-9,18H,(H2,23,25,27);3-10H,2H2,1H3,(H2,21,24,26);2-8H,1H3,(H2,21,24,26);2-9H,1H3,(H2,20,23,25)/i;;;;1D3.
What are the key properties of 6-[4-(difluoromethyl)quinolin-6-yl]-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-(4-ethylquinazolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-(8-fluoro-4-methylquinazolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;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-(difluoromethyl)quinolin-6-yl]-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-(4-ethylquinazolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-(8-fluoro-4-methylquinazolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;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 1784.72 g/mol, XLogP of 18.84, 13 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(difluoromethyl)quinolin-6-yl]-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-(4-ethylquinazolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-(8-fluoro-4-methylquinazolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;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 162056774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).