5-(1-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;carbon dioxide;2-[1-[[2-(4,4-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-5-phenyl-1,3,4-oxadiazole;5-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-methyl-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[[3-(4-methylpentyl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;1-methyl-4-[4-[[5-methyl-3-(5-phenylfuran-2-yl)-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]piperazine;5-[5-methyl-1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid

C161H156F6N41O13- — CID 160784918

IUPAC5-(1-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;carbon dioxide;2-[1-[[2-(4,4-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-5-phenyl-1,3,4-oxadiazole;5-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-methyl-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[[3-(4-methylpentyl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;1-methyl-4-[4-[[5-methyl-3-(5-phenylfuran-2-yl)-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]piperazine;5-[5-methyl-1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid
SMILESCc1ccc(-c2noc(-c3nc(-c4cccnc4)n(Cc4ccccc4)n3)n2)cc1.Cc1ccc(-c2noc(-c3nc(C)n(Cc4cccc(C)c4)n3)n2)cc1.Cc1ccc(-c2noc(-c3nc(C)n(Cc4cccc(CCCC(C)C)c4)n3)n2)cc1.Cc1ccc(-c2noc(-c3nc(C)n(Cc4cn5ccccc5n4)n3)n2)cc1.Cc1ccc(Cn2nc(-c3nc(-c4ccc(C)cc4)no3)nc2C)cc1.Cc1nc(-c2ccc(-c3ccccc3)o2)nn1Cc1ccnc(N2CCN(C)CC2)c1.Cc1nc(-c2nnc(-c3ccccc3)o2)nn1Cc1ccnc(N2CCC(C)(C)CC2)c1.O=C(O)C(F)(F)F.O=C([O-])C(F)(F)F.O=C=O
InChIInChI=1S/C25H29N5O.C24H27N7O.C24H26N6O.C23H18N6O.C20H17N7O.2C20H19N5O.2C2HF3O2.CO2/c1-17(2)7-5-8-20-9-6-10-21(15-20)16-30-19(4)26-24(28-30)25-27-23(29-31-25)22-13-11-18(3)12-14-22;1-17-26-21(23-28-27-22(32-23)19-7-5-4-6-8-19)29-31(17)16-18-9-12-25-20(15-18)30-13-10-24(2,3)11-14-30;1-18-26-24(22-9-8-21(31-22)20-6-4-3-5-7-20)27-30(18)17-19-10-11-25-23(16-19)29-14-12-28(2)13-15-29;1-16-9-11-18(12-10-16)20-26-23(30-28-20)21-25-22(19-8-5-13-24-14-19)29(27-21)15-17-6-3-2-4-7-17;1-13-6-8-15(9-7-13)18-23-20(28-25-18)19-21-14(2)27(24-19)12-16-11-26-10-4-3-5-17(26)22-16;1-13-4-8-16(9-5-13)12-25-15(3)21-19(23-25)20-22-18(24-26-20)17-10-6-14(2)7-11-17;1-13-7-9-17(10-8-13)18-22-20(26-24-18)19-21-15(3)25(23-19)12-16-6-4-5-14(2)11-16;2*3-2(4,5)1(6)7;2-1-3/h6,9-15,17H,5,7-8,16H2,1-4H3;4-9,12,15H,10-11,13-14,16H2,1-3H3;3-11,16H,12-15,17H2,1-2H3;2-14H,15H2,1H3;3-11H,12H2,1-2H3;2*4-11H,12H2,1-3H3;2*(H,6,7);/p-1
InChIKeyPUTXHILBRNEWBW-UHFFFAOYSA-M
MW2987.28 g/mol
LogP28.73
Rot. Bonds35

About 5-(1-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;carbon dioxide;2-[1-[[2-(4,4-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-5-phenyl-1,3,4-oxadiazole;5-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-methyl-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[[3-(4-methylpentyl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;1-methyl-4-[4-[[5-methyl-3-(5-phenylfuran-2-yl)-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]piperazine;5-[5-methyl-1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid

5-(1-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;carbon dioxide;2-[1-[[2-(4,4-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-5-phenyl-1,3,4-oxadiazole;5-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-methyl-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[[3-(4-methylpentyl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;1-methyl-4-[4-[[5-methyl-3-(5-phenylfuran-2-yl)-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]piperazine;5-[5-methyl-1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid (PubChem CID 160784918) has the molecular formula C161H156F6N41O13- and a molecular weight of 2987.28 g/mol. Its IUPAC name is 5-(1-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;carbon dioxide;2-[1-[[2-(4,4-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-5-phenyl-1,3,4-oxadiazole;5-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-methyl-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[[3-(4-methylpentyl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;1-methyl-4-[4-[[5-methyl-3-(5-phenylfuran-2-yl)-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]piperazine;5-[5-methyl-1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-(1-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;carbon dioxide;2-[1-[[2-(4,4-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-5-phenyl-1,3,4-oxadiazole;5-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-methyl-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[[3-(4-methylpentyl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;1-methyl-4-[4-[[5-methyl-3-(5-phenylfuran-2-yl)-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]piperazine;5-[5-methyl-1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid
PubChem CID160784918
Molecular FormulaC161H156F6N41O13-
Molecular Weight2987.28 g/mol
Exact Mass2985.27
IUPAC Name5-(1-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;carbon dioxide;2-[1-[[2-(4,4-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-5-phenyl-1,3,4-oxadiazole;5-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-methyl-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[[3-(4-methylpentyl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;1-methyl-4-[4-[[5-methyl-3-(5-phenylfuran-2-yl)-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]piperazine;5-[5-methyl-1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid
SMILESCc1ccc(-c2noc(-c3nc(-c4cccnc4)n(Cc4ccccc4)n3)n2)cc1.Cc1ccc(-c2noc(-c3nc(C)n(Cc4cccc(C)c4)n3)n2)cc1.Cc1ccc(-c2noc(-c3nc(C)n(Cc4cccc(CCCC(C)C)c4)n3)n2)cc1.Cc1ccc(-c2noc(-c3nc(C)n(Cc4cn5ccccc5n4)n3)n2)cc1.Cc1ccc(Cn2nc(-c3nc(-c4ccc(C)cc4)no3)nc2C)cc1.Cc1nc(-c2ccc(-c3ccccc3)o2)nn1Cc1ccnc(N2CCN(C)CC2)c1.Cc1nc(-c2nnc(-c3ccccc3)o2)nn1Cc1ccnc(N2CCC(C)(C)CC2)c1.O=C(O)C(F)(F)F.O=C([O-])C(F)(F)F.O=C=O
InChIInChI=1S/C25H29N5O.C24H27N7O.C24H26N6O.C23H18N6O.C20H17N7O.2C20H19N5O.2C2HF3O2.CO2/c1-17(2)7-5-8-20-9-6-10-21(15-20)16-30-19(4)26-24(28-30)25-27-23(29-31-25)22-13-11-18(3)12-14-22;1-17-26-21(23-28-27-22(32-23)19-7-5-4-6-8-19)29-31(17)16-18-9-12-25-20(15-18)30-13-10-24(2,3)11-14-30;1-18-26-24(22-9-8-21(31-22)20-6-4-3-5-7-20)27-30(18)17-19-10-11-25-23(16-19)29-14-12-28(2)13-15-29;1-16-9-11-18(12-10-16)20-26-23(30-28-20)21-25-22(19-8-5-13-24-14-19)29(27-21)15-17-6-3-2-4-7-17;1-13-6-8-15(9-7-13)18-23-20(28-25-18)19-21-14(2)27(24-19)12-16-11-26-10-4-3-5-17(26)22-16;1-13-4-8-16(9-5-13)12-25-15(3)21-19(23-25)20-22-18(24-26-20)17-10-6-14(2)7-11-17;1-13-7-9-17(10-8-13)18-22-20(26-24-18)19-21-15(3)25(23-19)12-16-6-4-5-14(2)11-16;2*3-2(4,5)1(6)7;2-1-3/h6,9-15,17H,5,7-8,16H2,1-4H3;4-9,12,15H,10-11,13-14,16H2,1-3H3;3-11,16H,12-15,17H2,1-2H3;2-14H,15H2,1H3;3-11H,12H2,1-2H3;2*4-11H,12H2,1-3H3;2*(H,6,7);/p-1
InChIKeyPUTXHILBRNEWBW-UHFFFAOYSA-M
XLogP28.73
TPSA638.89 Ų
H-Bond Donors1
H-Bond Acceptors53
Rotatable Bonds35
Heavy Atoms221
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002987.28
LogP ≤ 528.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1053

Analyze 5-(1-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;carbon dioxide;2-[1-[[2-(4,4-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-5-phenyl-1,3,4-oxadiazole;5-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-methyl-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[[3-(4-methylpentyl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;1-methyl-4-[4-[[5-methyl-3-(5-phenylfuran-2-yl)-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]piperazine;5-[5-methyl-1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;carbon dioxide;2-[1-[[2-(4,4-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-5-phenyl-1,3,4-oxadiazole;5-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-methyl-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[[3-(4-methylpentyl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;1-methyl-4-[4-[[5-methyl-3-(5-phenylfuran-2-yl)-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]piperazine;5-[5-methyl-1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-(1-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;carbon dioxide;2-[1-[[2-(4,4-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-5-phenyl-1,3,4-oxadiazole;5-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-methyl-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[[3-(4-methylpentyl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;1-methyl-4-[4-[[5-methyl-3-(5-phenylfuran-2-yl)-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]piperazine;5-[5-methyl-1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid (CID 160784918) is 5-(1-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;carbon dioxide;2-[1-[[2-(4,4-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-5-phenyl-1,3,4-oxadiazole;5-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-methyl-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[[3-(4-methylpentyl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;1-methyl-4-[4-[[5-methyl-3-(5-phenylfuran-2-yl)-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]piperazine;5-[5-methyl-1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-(1-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;carbon dioxide;2-[1-[[2-(4,4-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-5-phenyl-1,3,4-oxadiazole;5-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-methyl-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[[3-(4-methylpentyl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;1-methyl-4-[4-[[5-methyl-3-(5-phenylfuran-2-yl)-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]piperazine;5-[5-methyl-1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-(1-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;carbon dioxide;2-[1-[[2-(4,4-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-5-phenyl-1,3,4-oxadiazole;5-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-methyl-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[[3-(4-methylpentyl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;1-methyl-4-[4-[[5-methyl-3-(5-phenylfuran-2-yl)-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]piperazine;5-[5-methyl-1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid is Cc1ccc(-c2noc(-c3nc(-c4cccnc4)n(Cc4ccccc4)n3)n2)cc1.Cc1ccc(-c2noc(-c3nc(C)n(Cc4cccc(C)c4)n3)n2)cc1.Cc1ccc(-c2noc(-c3nc(C)n(Cc4cccc(CCCC(C)C)c4)n3)n2)cc1.Cc1ccc(-c2noc(-c3nc(C)n(Cc4cn5ccccc5n4)n3)n2)cc1.Cc1ccc(Cn2nc(-c3nc(-c4ccc(C)cc4)no3)nc2C)cc1.Cc1nc(-c2ccc(-c3ccccc3)o2)nn1Cc1ccnc(N2CCN(C)CC2)c1.Cc1nc(-c2nnc(-c3ccccc3)o2)nn1Cc1ccnc(N2CCC(C)(C)CC2)c1.O=C(O)C(F)(F)F.O=C([O-])C(F)(F)F.O=C=O.
What is the InChIKey of 5-(1-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;carbon dioxide;2-[1-[[2-(4,4-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-5-phenyl-1,3,4-oxadiazole;5-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-methyl-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[[3-(4-methylpentyl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;1-methyl-4-[4-[[5-methyl-3-(5-phenylfuran-2-yl)-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]piperazine;5-[5-methyl-1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid?
The InChIKey is PUTXHILBRNEWBW-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H29N5O.C24H27N7O.C24H26N6O.C23H18N6O.C20H17N7O.2C20H19N5O.2C2HF3O2.CO2/c1-17(2)7-5-8-20-9-6-10-21(15-20)16-30-19(4)26-24(28-30)25-27-23(29-31-25)22-13-11-18(3)12-14-22;1-17-26-21(23-28-27-22(32-23)19-7-5-4-6-8-19)29-31(17)16-18-9-12-25-20(15-18)30-13-10-24(2,3)11-14-30;1-18-26-24(22-9-8-21(31-22)20-6-4-3-5-7-20)27-30(18)17-19-10-11-25-23(16-19)29-14-12-28(2)13-15-29;1-16-9-11-18(12-10-16)20-26-23(30-28-20)21-25-22(19-8-5-13-24-14-19)29(27-21)15-17-6-3-2-4-7-17;1-13-6-8-15(9-7-13)18-23-20(28-25-18)19-21-14(2)27(24-19)12-16-11-26-10-4-3-5-17(26)22-16;1-13-4-8-16(9-5-13)12-25-15(3)21-19(23-25)20-22-18(24-26-20)17-10-6-14(2)7-11-17;1-13-7-9-17(10-8-13)18-22-20(26-24-18)19-21-15(3)25(23-19)12-16-6-4-5-14(2)11-16;2*3-2(4,5)1(6)7;2-1-3/h6,9-15,17H,5,7-8,16H2,1-4H3;4-9,12,15H,10-11,13-14,16H2,1-3H3;3-11,16H,12-15,17H2,1-2H3;2-14H,15H2,1H3;3-11H,12H2,1-2H3;2*4-11H,12H2,1-3H3;2*(H,6,7);/p-1.
What are the key properties of 5-(1-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;carbon dioxide;2-[1-[[2-(4,4-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-5-phenyl-1,3,4-oxadiazole;5-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-methyl-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[[3-(4-methylpentyl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;1-methyl-4-[4-[[5-methyl-3-(5-phenylfuran-2-yl)-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]piperazine;5-[5-methyl-1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid?
5-(1-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;carbon dioxide;2-[1-[[2-(4,4-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-5-phenyl-1,3,4-oxadiazole;5-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-methyl-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[[3-(4-methylpentyl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;1-methyl-4-[4-[[5-methyl-3-(5-phenylfuran-2-yl)-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]piperazine;5-[5-methyl-1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid has a molecular weight of 2987.28 g/mol, XLogP of 28.73, 35 rotatable bonds, 1 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;carbon dioxide;2-[1-[[2-(4,4-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-5-phenyl-1,3,4-oxadiazole;5-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-methyl-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[[3-(4-methylpentyl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;1-methyl-4-[4-[[5-methyl-3-(5-phenylfuran-2-yl)-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]piperazine;5-[5-methyl-1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 160784918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).