About 4-fluoro-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide;2-methylsulfanyl-6-[4-[3-[3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-methyl-6-[4-[3-[3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethoxy)benzamide;N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide;N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-4-(trifluoromethyl)benzamide;5-(4-pyridin-3-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-amine;6-[4-[3-[3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine
4-fluoro-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide;2-methylsulfanyl-6-[4-[3-[3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-methyl-6-[4-[3-[3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethoxy)benzamide;N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide;N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-4-(trifluoromethyl)benzamide;5-(4-pyridin-3-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-amine;6-[4-[3-[3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine (PubChem CID 158025295) has the molecular formula C163H115F25N46O13S
and a molecular weight of 3433.04 g/mol. Its IUPAC name is 4-fluoro-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide;2-methylsulfanyl-6-[4-[3-[3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-methyl-6-[4-[3-[3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethoxy)benzamide;N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide;N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-4-(trifluoromethyl)benzamide;5-(4-pyridin-3-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-amine;6-[4-[3-[3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine.
Frequently Asked Questions
What is the IUPAC name of 4-fluoro-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide;2-methylsulfanyl-6-[4-[3-[3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-methyl-6-[4-[3-[3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethoxy)benzamide;N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide;N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-4-(trifluoromethyl)benzamide;5-(4-pyridin-3-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-amine;6-[4-[3-[3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine?
The IUPAC name of 4-fluoro-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide;2-methylsulfanyl-6-[4-[3-[3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-methyl-6-[4-[3-[3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethoxy)benzamide;N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide;N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-4-(trifluoromethyl)benzamide;5-(4-pyridin-3-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-amine;6-[4-[3-[3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine (CID 158025295) is 4-fluoro-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide;2-methylsulfanyl-6-[4-[3-[3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-methyl-6-[4-[3-[3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethoxy)benzamide;N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide;N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-4-(trifluoromethyl)benzamide;5-(4-pyridin-3-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-amine;6-[4-[3-[3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine.
What is the SMILES notation for 4-fluoro-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide;2-methylsulfanyl-6-[4-[3-[3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-methyl-6-[4-[3-[3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethoxy)benzamide;N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide;N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-4-(trifluoromethyl)benzamide;5-(4-pyridin-3-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-amine;6-[4-[3-[3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine?
The canonical SMILES for 4-fluoro-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide;2-methylsulfanyl-6-[4-[3-[3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-methyl-6-[4-[3-[3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethoxy)benzamide;N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide;N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-4-(trifluoromethyl)benzamide;5-(4-pyridin-3-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-amine;6-[4-[3-[3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine is CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4cccc(C(F)(F)F)c4)n[nH]3)cc2)n1.Cc1cc(Oc2ccc(-c3nc(Nc4cccc(C(F)(F)F)c4)n[nH]3)cc2)nc(N)n1.FC(F)(F)c1cccc(Nc2n[nH]c(-c3ccc(Oc4cccnc4)cc3)n2)c1.Nc1cc(Oc2ccc(-c3nc(Nc4cccc(C(F)(F)F)c4)n[nH]3)cc2)ncn1.O=C(Nc1n[nH]c(-c2ccc(Oc3cccnc3)cc2)n1)c1ccc(C(F)(F)F)cc1.O=C(Nc1n[nH]c(-c2ccc(Oc3cccnc3)cc2)n1)c1ccc(F)c(C(F)(F)F)c1.O=C(Nc1n[nH]c(-c2ccc(Oc3cccnc3)cc2)n1)c1cccc(C(F)(F)F)c1.O=C(Nc1n[nH]c(-c2ccc(Oc3cccnc3)cc2)n1)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 4-fluoro-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide;2-methylsulfanyl-6-[4-[3-[3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-methyl-6-[4-[3-[3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethoxy)benzamide;N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide;N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-4-(trifluoromethyl)benzamide;5-(4-pyridin-3-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-amine;6-[4-[3-[3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine?
The InChIKey is FGNOHQMEXXCMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F4N5O2.C21H14F3N5O3.2C21H14F3N5O2.C20H16F3N7OS.C20H16F3N7O.C20H14F3N5O.C19H14F3N7O/c22-17-8-5-13(10-16(17)21(23,24)25)19(31)28-20-27-18(29-30-20)12-3-6-14(7-4-12)32-15-2-1-9-26-11-15;22-21(23,24)32-16-4-1-3-14(11-16)19(30)27-20-26-18(28-29-20)13-6-8-15(9-7-13)31-17-5-2-10-25-12-17;22-21(23,24)15-4-1-3-14(11-15)19(30)27-20-26-18(28-29-20)13-6-8-16(9-7-13)31-17-5-2-10-25-12-17;22-21(23,24)15-7-3-14(4-8-15)19(30)27-20-26-18(28-29-20)13-5-9-16(10-6-13)31-17-2-1-11-25-12-17;1-32-19-26-15(24)10-16(27-19)31-14-7-5-11(6-8-14)17-28-18(30-29-17)25-13-4-2-3-12(9-13)20(21,22)23;1-11-9-16(27-18(24)25-11)31-15-7-5-12(6-8-15)17-28-19(30-29-17)26-14-4-2-3-13(10-14)20(21,22)23;21-20(22,23)14-3-1-4-15(11-14)25-19-26-18(27-28-19)13-6-8-16(9-7-13)29-17-5-2-10-24-12-17;20-19(21,22)12-2-1-3-13(8-12)26-18-27-17(28-29-18)11-4-6-14(7-5-11)30-16-9-15(23)24-10-25-16/h1-11H,(H2,27,28,29,30,31);1-12H,(H2,26,27,28,29,30);2*1-12H,(H2,26,27,28,29,30);2-10H,1H3,(H2,24,26,27)(H2,25,28,29,30);2-10H,1H3,(H2,24,25,27)(H2,26,28,29,30);1-12H,(H2,25,26,27,28);1-10H,(H2,23,24,25)(H2,26,27,28,29).
What are the key properties of 4-fluoro-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide;2-methylsulfanyl-6-[4-[3-[3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-methyl-6-[4-[3-[3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethoxy)benzamide;N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide;N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-4-(trifluoromethyl)benzamide;5-(4-pyridin-3-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-amine;6-[4-[3-[3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine?
4-fluoro-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide;2-methylsulfanyl-6-[4-[3-[3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-methyl-6-[4-[3-[3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethoxy)benzamide;N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide;N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-4-(trifluoromethyl)benzamide;5-(4-pyridin-3-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-amine;6-[4-[3-[3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine has a molecular weight of 3433.04 g/mol, XLogP of 39.39, 42 rotatable bonds, 19 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide;2-methylsulfanyl-6-[4-[3-[3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-methyl-6-[4-[3-[3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethoxy)benzamide;N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide;N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-4-(trifluoromethyl)benzamide;5-(4-pyridin-3-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-amine;6-[4-[3-[3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine is sourced from PubChem (CID 158025295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).