4-[5-(3,4-diethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]pyridine;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-piperazin-1-ylmethanone;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine

C84H96N16O12 — CID 161180279

IUPAC4-[5-(3,4-diethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]pyridine;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-piperazin-1-ylmethanone;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine
SMILESCCOc1ccc(-c2n[nH]c(-c3ccncc3)n2)cc1OCC.CCOc1ccc(-c2nc(-c3ccc(C(=O)N4CCN(C)CC4)cc3C)no2)cc1OCC.CCOc1ccc(-c2nc(-c3ccc(C(=O)N4CCNCC4)cc3C)no2)cc1OCC.CCOc1ccc(-c2nnc(-c3ccncc3)n2C)cc1OCC
InChIInChI=1S/C25H30N4O4.C24H28N4O4.C18H20N4O2.C17H18N4O2/c1-5-31-21-10-8-18(16-22(21)32-6-2)24-26-23(27-33-24)20-9-7-19(15-17(20)3)25(30)29-13-11-28(4)12-14-29;1-4-30-20-9-7-17(15-21(20)31-5-2)23-26-22(27-32-23)19-8-6-18(14-16(19)3)24(29)28-12-10-25-11-13-28;1-4-23-15-7-6-14(12-16(15)24-5-2)18-21-20-17(22(18)3)13-8-10-19-11-9-13;1-3-22-14-6-5-13(11-15(14)23-4-2)17-19-16(20-21-17)12-7-9-18-10-8-12/h7-10,15-16H,5-6,11-14H2,1-4H3;6-9,14-15,25H,4-5,10-13H2,1-3H3;6-12H,4-5H2,1-3H3;5-11H,3-4H2,1-2H3,(H,19,20,21)
InChIKeyUSIXSQWOXIXQAL-UHFFFAOYSA-N
MW1521.79 g/mol
LogP14.12
Rot. Bonds26

About 4-[5-(3,4-diethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]pyridine;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-piperazin-1-ylmethanone;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine

4-[5-(3,4-diethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]pyridine;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-piperazin-1-ylmethanone;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine (PubChem CID 161180279) has the molecular formula C84H96N16O12 and a molecular weight of 1521.79 g/mol. Its IUPAC name is 4-[5-(3,4-diethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]pyridine;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-piperazin-1-ylmethanone;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine.

Molecular Properties

Compound Name4-[5-(3,4-diethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]pyridine;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-piperazin-1-ylmethanone;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine
PubChem CID161180279
Molecular FormulaC84H96N16O12
Molecular Weight1521.79 g/mol
Exact Mass1520.74
IUPAC Name4-[5-(3,4-diethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]pyridine;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-piperazin-1-ylmethanone;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine
SMILESCCOc1ccc(-c2n[nH]c(-c3ccncc3)n2)cc1OCC.CCOc1ccc(-c2nc(-c3ccc(C(=O)N4CCN(C)CC4)cc3C)no2)cc1OCC.CCOc1ccc(-c2nc(-c3ccc(C(=O)N4CCNCC4)cc3C)no2)cc1OCC.CCOc1ccc(-c2nnc(-c3ccncc3)n2C)cc1OCC
InChIInChI=1S/C25H30N4O4.C24H28N4O4.C18H20N4O2.C17H18N4O2/c1-5-31-21-10-8-18(16-22(21)32-6-2)24-26-23(27-33-24)20-9-7-19(15-17(20)3)25(30)29-13-11-28(4)12-14-29;1-4-30-20-9-7-17(15-21(20)31-5-2)23-26-22(27-32-23)19-8-6-18(14-16(19)3)24(29)28-12-10-25-11-13-28;1-4-23-15-7-6-14(12-16(15)24-5-2)18-21-20-17(22(18)3)13-8-10-19-11-9-13;1-3-22-14-6-5-13(11-15(14)23-4-2)17-19-16(20-21-17)12-7-9-18-10-8-12/h7-10,15-16H,5-6,11-14H2,1-4H3;6-9,14-15,25H,4-5,10-13H2,1-3H3;6-12H,4-5H2,1-3H3;5-11H,3-4H2,1-2H3,(H,19,20,21)
InChIKeyUSIXSQWOXIXQAL-UHFFFAOYSA-N
XLogP14.12
TPSA305.63 Ų
H-Bond Donors2
H-Bond Acceptors25
Rotatable Bonds26
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001521.79
LogP ≤ 514.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1025

Analyze 4-[5-(3,4-diethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]pyridine;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-piperazin-1-ylmethanone;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine with MolForge

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Related Compounds

5-(3-Tert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole;3-(2-methylphenyl)-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 157065994
5-benzyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-butylcyclohexyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-phenyl-1,2,4-oxadiazole;N,N-dimethyl-1-[4-[3-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]methanamine;5-(1-phenylpropyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 157251544
tert-butyl 4-[5-(3-ethoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate;tert-butyl 4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine;5-(3-ethoxy-4-methylphenyl)-3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;3-(1-methylpiperidin-4-yl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 157293918
[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol;3-[4-(2,5-dihydro-1H-imidazol-2-yl)phenyl]-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;N,N-dimethyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;N,N-dimethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;3-pyridin-4-yl-5-(3-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole;3-pyridin-4-yl-5-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole
CID 157302889
Tert-butyl 4-[4-[5-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylbenzoyl]piperazine-1-carboxylate;tert-butyl 4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-piperazin-1-ylmethanone;5-(3-ethoxy-4-methylphenyl)-3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;2-(3-ethoxy-4-methylphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;3-(1-methylpiperidin-4-yl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 157484034
tert-butyl 4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine;5-(3-ethoxy-4-methylphenyl)-3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;3-(1-methylpiperidin-4-yl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 157887374
5-(3-Tert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole;3-(2-methylphenyl)-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;2-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzonitrile;5-(3-phenylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)benzonitrile
CID 158053300
5-(4-Cyclohexylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-(3-methyl-4-pyridinyl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 158447121
5-(4-Cyclohexylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-(3-methyl-4-pyridinyl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(5-methyl-3-pyridinyl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 158723874
5-[3-(4-Butylphenyl)-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(2,3-dimethylphenyl)-1,2,4-oxadiazole;3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline;2-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzonitrile;5-(3-phenylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)benzonitrile
CID 159531340
Tert-butyl 4-[4-[5-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylbenzoyl]piperazine-1-carboxylate;tert-butyl 4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate;5-(3-ethoxy-4-methylphenyl)-3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;2-(3-ethoxy-4-methylphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;3-(1-methylpiperidin-4-yl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 159628537
5-benzyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-butylcyclohexyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-phenyl-1,2,4-oxadiazole;N,N-dimethyl-1-[4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;5-(1-phenylpropyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 159873013

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3,4-diethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]pyridine;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-piperazin-1-ylmethanone;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine?
The IUPAC name of 4-[5-(3,4-diethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]pyridine;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-piperazin-1-ylmethanone;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine (CID 161180279) is 4-[5-(3,4-diethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]pyridine;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-piperazin-1-ylmethanone;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine.
What is the SMILES notation for 4-[5-(3,4-diethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]pyridine;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-piperazin-1-ylmethanone;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine?
The canonical SMILES for 4-[5-(3,4-diethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]pyridine;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-piperazin-1-ylmethanone;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine is CCOc1ccc(-c2n[nH]c(-c3ccncc3)n2)cc1OCC.CCOc1ccc(-c2nc(-c3ccc(C(=O)N4CCN(C)CC4)cc3C)no2)cc1OCC.CCOc1ccc(-c2nc(-c3ccc(C(=O)N4CCNCC4)cc3C)no2)cc1OCC.CCOc1ccc(-c2nnc(-c3ccncc3)n2C)cc1OCC.
What is the InChIKey of 4-[5-(3,4-diethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]pyridine;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-piperazin-1-ylmethanone;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine?
The InChIKey is USIXSQWOXIXQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4.C24H28N4O4.C18H20N4O2.C17H18N4O2/c1-5-31-21-10-8-18(16-22(21)32-6-2)24-26-23(27-33-24)20-9-7-19(15-17(20)3)25(30)29-13-11-28(4)12-14-29;1-4-30-20-9-7-17(15-21(20)31-5-2)23-26-22(27-32-23)19-8-6-18(14-16(19)3)24(29)28-12-10-25-11-13-28;1-4-23-15-7-6-14(12-16(15)24-5-2)18-21-20-17(22(18)3)13-8-10-19-11-9-13;1-3-22-14-6-5-13(11-15(14)23-4-2)17-19-16(20-21-17)12-7-9-18-10-8-12/h7-10,15-16H,5-6,11-14H2,1-4H3;6-9,14-15,25H,4-5,10-13H2,1-3H3;6-12H,4-5H2,1-3H3;5-11H,3-4H2,1-2H3,(H,19,20,21).
What are the key properties of 4-[5-(3,4-diethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]pyridine;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-piperazin-1-ylmethanone;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine?
4-[5-(3,4-diethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]pyridine;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-piperazin-1-ylmethanone;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine has a molecular weight of 1521.79 g/mol, XLogP of 14.12, 26 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3,4-diethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]pyridine;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-piperazin-1-ylmethanone;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine is sourced from PubChem (CID 161180279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).