About 1-[2-tert-butyl-3-(2-chlorophenyl)-2-(2,4-difluorophenyl)but-3-enyl]-1,2,4-triazole;1-[2-(2,4-difluorophenyl)-3,3-dimethyl-2-[(1S)-1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]butyl]-1,2,4-triazole;1-[2-(2,4-difluorophenyl)-3,3-dimethyl-2-(pyrazol-1-ylmethyl)butyl]-1,2,4-triazole;1-[2-(2,4-difluorophenyl)-3,3-dimethyl-2-(1,2,4-triazol-1-ylmethyl)butyl]-3-[(E)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethenyl]-1,2,4-triazole;2-[(2R)-3-(2,4-difluorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-2-yl]-3-fluoropyridine;2-[(2R)-3-(2,4-difluorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-2-yl]-4-(4-methylphenyl)-1,3-thiazole;2-[(2R)-3-(2,4-difluorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-2-yl]-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1,2,4-triazol-3-one;methane
1-[2-tert-butyl-3-(2-chlorophenyl)-2-(2,4-difluorophenyl)but-3-enyl]-1,2,4-triazole;1-[2-(2,4-difluorophenyl)-3,3-dimethyl-2-[(1S)-1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]butyl]-1,2,4-triazole;1-[2-(2,4-difluorophenyl)-3,3-dimethyl-2-(pyrazol-1-ylmethyl)butyl]-1,2,4-triazole;1-[2-(2,4-difluorophenyl)-3,3-dimethyl-2-(1,2,4-triazol-1-ylmethyl)butyl]-3-[(E)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethenyl]-1,2,4-triazole;2-[(2R)-3-(2,4-difluorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-2-yl]-3-fluoropyridine;2-[(2R)-3-(2,4-difluorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-2-yl]-4-(4-methylphenyl)-1,3-thiazole;2-[(2R)-3-(2,4-difluorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-2-yl]-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1,2,4-triazol-3-one;methane (PubChem CID 157320961) has the molecular formula C172H195ClF23N33O3S
and a molecular weight of 3277.15 g/mol. Its IUPAC name is 1-[2-tert-butyl-3-(2-chlorophenyl)-2-(2,4-difluorophenyl)but-3-enyl]-1,2,4-triazole;1-[2-(2,4-difluorophenyl)-3,3-dimethyl-2-[(1S)-1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]butyl]-1,2,4-triazole;1-[2-(2,4-difluorophenyl)-3,3-dimethyl-2-(pyrazol-1-ylmethyl)butyl]-1,2,4-triazole;1-[2-(2,4-difluorophenyl)-3,3-dimethyl-2-(1,2,4-triazol-1-ylmethyl)butyl]-3-[(E)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethenyl]-1,2,4-triazole;2-[(2R)-3-(2,4-difluorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-2-yl]-3-fluoropyridine;2-[(2R)-3-(2,4-difluorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-2-yl]-4-(4-methylphenyl)-1,3-thiazole;2-[(2R)-3-(2,4-difluorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-2-yl]-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1,2,4-triazol-3-one;methane.
Frequently Asked Questions
What is the IUPAC name of 1-[2-tert-butyl-3-(2-chlorophenyl)-2-(2,4-difluorophenyl)but-3-enyl]-1,2,4-triazole;1-[2-(2,4-difluorophenyl)-3,3-dimethyl-2-[(1S)-1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]butyl]-1,2,4-triazole;1-[2-(2,4-difluorophenyl)-3,3-dimethyl-2-(pyrazol-1-ylmethyl)butyl]-1,2,4-triazole;1-[2-(2,4-difluorophenyl)-3,3-dimethyl-2-(1,2,4-triazol-1-ylmethyl)butyl]-3-[(E)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethenyl]-1,2,4-triazole;2-[(2R)-3-(2,4-difluorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-2-yl]-3-fluoropyridine;2-[(2R)-3-(2,4-difluorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-2-yl]-4-(4-methylphenyl)-1,3-thiazole;2-[(2R)-3-(2,4-difluorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-2-yl]-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1,2,4-triazol-3-one;methane?
The IUPAC name of 1-[2-tert-butyl-3-(2-chlorophenyl)-2-(2,4-difluorophenyl)but-3-enyl]-1,2,4-triazole;1-[2-(2,4-difluorophenyl)-3,3-dimethyl-2-[(1S)-1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]butyl]-1,2,4-triazole;1-[2-(2,4-difluorophenyl)-3,3-dimethyl-2-(pyrazol-1-ylmethyl)butyl]-1,2,4-triazole;1-[2-(2,4-difluorophenyl)-3,3-dimethyl-2-(1,2,4-triazol-1-ylmethyl)butyl]-3-[(E)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethenyl]-1,2,4-triazole;2-[(2R)-3-(2,4-difluorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-2-yl]-3-fluoropyridine;2-[(2R)-3-(2,4-difluorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-2-yl]-4-(4-methylphenyl)-1,3-thiazole;2-[(2R)-3-(2,4-difluorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-2-yl]-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1,2,4-triazol-3-one;methane (CID 157320961) is 1-[2-tert-butyl-3-(2-chlorophenyl)-2-(2,4-difluorophenyl)but-3-enyl]-1,2,4-triazole;1-[2-(2,4-difluorophenyl)-3,3-dimethyl-2-[(1S)-1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]butyl]-1,2,4-triazole;1-[2-(2,4-difluorophenyl)-3,3-dimethyl-2-(pyrazol-1-ylmethyl)butyl]-1,2,4-triazole;1-[2-(2,4-difluorophenyl)-3,3-dimethyl-2-(1,2,4-triazol-1-ylmethyl)butyl]-3-[(E)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethenyl]-1,2,4-triazole;2-[(2R)-3-(2,4-difluorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-2-yl]-3-fluoropyridine;2-[(2R)-3-(2,4-difluorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-2-yl]-4-(4-methylphenyl)-1,3-thiazole;2-[(2R)-3-(2,4-difluorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-2-yl]-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1,2,4-triazol-3-one;methane.
What is the SMILES notation for 1-[2-tert-butyl-3-(2-chlorophenyl)-2-(2,4-difluorophenyl)but-3-enyl]-1,2,4-triazole;1-[2-(2,4-difluorophenyl)-3,3-dimethyl-2-[(1S)-1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]butyl]-1,2,4-triazole;1-[2-(2,4-difluorophenyl)-3,3-dimethyl-2-(pyrazol-1-ylmethyl)butyl]-1,2,4-triazole;1-[2-(2,4-difluorophenyl)-3,3-dimethyl-2-(1,2,4-triazol-1-ylmethyl)butyl]-3-[(E)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethenyl]-1,2,4-triazole;2-[(2R)-3-(2,4-difluorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-2-yl]-3-fluoropyridine;2-[(2R)-3-(2,4-difluorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-2-yl]-4-(4-methylphenyl)-1,3-thiazole;2-[(2R)-3-(2,4-difluorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-2-yl]-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1,2,4-triazol-3-one;methane?
The canonical SMILES for 1-[2-tert-butyl-3-(2-chlorophenyl)-2-(2,4-difluorophenyl)but-3-enyl]-1,2,4-triazole;1-[2-(2,4-difluorophenyl)-3,3-dimethyl-2-[(1S)-1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]butyl]-1,2,4-triazole;1-[2-(2,4-difluorophenyl)-3,3-dimethyl-2-(pyrazol-1-ylmethyl)butyl]-1,2,4-triazole;1-[2-(2,4-difluorophenyl)-3,3-dimethyl-2-(1,2,4-triazol-1-ylmethyl)butyl]-3-[(E)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethenyl]-1,2,4-triazole;2-[(2R)-3-(2,4-difluorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-2-yl]-3-fluoropyridine;2-[(2R)-3-(2,4-difluorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-2-yl]-4-(4-methylphenyl)-1,3-thiazole;2-[(2R)-3-(2,4-difluorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-2-yl]-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1,2,4-triazol-3-one;methane is C.C.C.C.C=C(c1ccccc1Cl)C(Cn1cncn1)(c1ccc(F)cc1F)C(C)(C)C.CC(C)(C)C(Cn1cccn1)(Cn1cncn1)c1ccc(F)cc1F.CC(C)(C)C(Cn1cncn1)(Cn1cnc(/C=C/c2ccc(OCC(F)(F)C(F)F)cc2)n1)c1ccc(F)cc1F.C[C@@H](c1ccc(-c2ccnn2C)cc1)C(Cn1cncn1)(c1ccc(F)cc1F)C(C)(C)C.C[C@@H](c1ncccc1F)C(Cn1cncn1)(c1ccc(F)cc1F)C(C)(C)C.C[C@@H](n1ncn(-c2ccc(OCC(F)(F)C(F)F)cc2)c1=O)C(Cn1cncn1)(c1ccc(F)cc1F)C(C)(C)C.Cc1ccc(-c2csc([C@H](C)C(Cn3cncn3)(c3ccc(F)cc3F)C(C)(C)C)n2)cc1.
What is the InChIKey of 1-[2-tert-butyl-3-(2-chlorophenyl)-2-(2,4-difluorophenyl)but-3-enyl]-1,2,4-triazole;1-[2-(2,4-difluorophenyl)-3,3-dimethyl-2-[(1S)-1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]butyl]-1,2,4-triazole;1-[2-(2,4-difluorophenyl)-3,3-dimethyl-2-(pyrazol-1-ylmethyl)butyl]-1,2,4-triazole;1-[2-(2,4-difluorophenyl)-3,3-dimethyl-2-(1,2,4-triazol-1-ylmethyl)butyl]-3-[(E)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethenyl]-1,2,4-triazole;2-[(2R)-3-(2,4-difluorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-2-yl]-3-fluoropyridine;2-[(2R)-3-(2,4-difluorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-2-yl]-4-(4-methylphenyl)-1,3-thiazole;2-[(2R)-3-(2,4-difluorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-2-yl]-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1,2,4-triazol-3-one;methane?
The InChIKey is BEDPTOODLYVRIH-KOIJCSPOSA-N. The full InChI is InChI=1S/C28H28F6N6O.C27H28F6N6O2.C26H29F2N5.C26H28F2N4S.C22H22ClF2N3.C21H23F3N4.C18H21F2N5.4CH4/c1-26(2,3)27(13-39-17-35-16-37-39,22-10-7-20(29)12-23(22)30)14-40-18-36-24(38-40)11-6-19-4-8-21(9-5-19)41-15-28(33,34)25(31)32;1-17(26(25(2,3)4,12-37-15-34-14-35-37)21-10-5-18(28)11-22(21)29)39-24(40)38(16-36-39)19-6-8-20(9-7-19)41-13-27(32,33)23(30)31;1-18(19-6-8-20(9-7-19)24-12-13-30-32(24)5)26(25(2,3)4,15-33-17-29-16-31-33)22-11-10-21(27)14-23(22)28;1-17-6-8-19(9-7-17)23-13-33-24(31-23)18(2)26(25(3,4)5,14-32-16-29-15-30-32)21-11-10-20(27)12-22(21)28;1-15(17-7-5-6-8-19(17)23)22(21(2,3)4,12-28-14-26-13-27-28)18-10-9-16(24)11-20(18)25;1-14(19-17(23)6-5-9-26-19)21(20(2,3)4,11-28-13-25-12-27-28)16-8-7-15(22)10-18(16)24;1-17(2,3)18(10-24-8-4-7-22-24,11-25-13-21-12-23-25)15-6-5-14(19)9-16(15)20;;;;/h4-12,16-18,25H,13-15H2,1-3H3;5-11,14-17,23H,12-13H2,1-4H3;6-14,16-18H,15H2,1-5H3;6-13,15-16,18H,14H2,1-5H3;5-11,13-14H,1,12H2,2-4H3;5-10,12-14H,11H2,1-4H3;4-9,12-13H,10-11H2,1-3H3;4*1H4/b11-6+;;;;;;;;;;/t;17-,26?;2*18-,26?;;14-,21?;;;;;/m.100.0...../s1.
What are the key properties of 1-[2-tert-butyl-3-(2-chlorophenyl)-2-(2,4-difluorophenyl)but-3-enyl]-1,2,4-triazole;1-[2-(2,4-difluorophenyl)-3,3-dimethyl-2-[(1S)-1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]butyl]-1,2,4-triazole;1-[2-(2,4-difluorophenyl)-3,3-dimethyl-2-(pyrazol-1-ylmethyl)butyl]-1,2,4-triazole;1-[2-(2,4-difluorophenyl)-3,3-dimethyl-2-(1,2,4-triazol-1-ylmethyl)butyl]-3-[(E)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethenyl]-1,2,4-triazole;2-[(2R)-3-(2,4-difluorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-2-yl]-3-fluoropyridine;2-[(2R)-3-(2,4-difluorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-2-yl]-4-(4-methylphenyl)-1,3-thiazole;2-[(2R)-3-(2,4-difluorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-2-yl]-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1,2,4-triazol-3-one;methane?
1-[2-tert-butyl-3-(2-chlorophenyl)-2-(2,4-difluorophenyl)but-3-enyl]-1,2,4-triazole;1-[2-(2,4-difluorophenyl)-3,3-dimethyl-2-[(1S)-1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]butyl]-1,2,4-triazole;1-[2-(2,4-difluorophenyl)-3,3-dimethyl-2-(pyrazol-1-ylmethyl)butyl]-1,2,4-triazole;1-[2-(2,4-difluorophenyl)-3,3-dimethyl-2-(1,2,4-triazol-1-ylmethyl)butyl]-3-[(E)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethenyl]-1,2,4-triazole;2-[(2R)-3-(2,4-difluorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-2-yl]-3-fluoropyridine;2-[(2R)-3-(2,4-difluorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-2-yl]-4-(4-methylphenyl)-1,3-thiazole;2-[(2R)-3-(2,4-difluorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-2-yl]-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1,2,4-triazol-3-one;methane has a molecular weight of 3277.15 g/mol, XLogP of 41.00, 48 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-tert-butyl-3-(2-chlorophenyl)-2-(2,4-difluorophenyl)but-3-enyl]-1,2,4-triazole;1-[2-(2,4-difluorophenyl)-3,3-dimethyl-2-[(1S)-1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]butyl]-1,2,4-triazole;1-[2-(2,4-difluorophenyl)-3,3-dimethyl-2-(pyrazol-1-ylmethyl)butyl]-1,2,4-triazole;1-[2-(2,4-difluorophenyl)-3,3-dimethyl-2-(1,2,4-triazol-1-ylmethyl)butyl]-3-[(E)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethenyl]-1,2,4-triazole;2-[(2R)-3-(2,4-difluorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-2-yl]-3-fluoropyridine;2-[(2R)-3-(2,4-difluorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-2-yl]-4-(4-methylphenyl)-1,3-thiazole;2-[(2R)-3-(2,4-difluorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-2-yl]-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1,2,4-triazol-3-one;methane is sourced from PubChem (CID 157320961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).