2-[[5-(3-acetyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(4-acetyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(5-acetyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(1,7-naphthyridin-8-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(2,7-naphthyridin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-formyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;methyl 2-[5-(2-anilino-2-oxoethyl)sulfanyl-4-ethyl-1,2,4-triazol-3-yl]pyridine-4-carboxylate;methyl 6-[5-(2-anilino-2-oxoethyl)sulfanyl-4-ethyl-1,2,4-triazol-3-yl]pyridine-3-carboxylate

C171H165N47O17S9 — CID 162187959

IUPAC2-[[5-(3-acetyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(4-acetyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(5-acetyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(1,7-naphthyridin-8-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(2,7-naphthyridin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-formyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;methyl 2-[5-(2-anilino-2-oxoethyl)sulfanyl-4-ethyl-1,2,4-triazol-3-yl]pyridine-4-carboxylate;methyl 6-[5-(2-anilino-2-oxoethyl)sulfanyl-4-ethyl-1,2,4-triazol-3-yl]pyridine-3-carboxylate
SMILESCCn1c(SCC(=O)Nc2ccccc2)nnc1-c1cc(C(=O)OC)ccn1.CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1cc(C(C)=O)ccn1.CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1cc2c(cn1)CCC2.CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc(C(=O)OC)cn1.CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc(C(C)=O)cn1.CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1nccc2cccnc12.CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1nccc2ccncc12.CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ncccc1C(C)=O.O=Cn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccn1
InChIInChI=1S/2C20H18N6OS.C20H21N5OS.2C19H19N5O3S.3C19H19N5O2S.C16H13N5O2S/c1-2-26-19(18-17-14(10-12-22-18)7-6-11-21-17)24-25-20(26)28-13-16(27)23-15-8-4-3-5-9-15;1-2-26-19(18-16-12-21-10-8-14(16)9-11-22-18)24-25-20(26)28-13-17(27)23-15-6-4-3-5-7-15;1-2-25-19(17-11-14-7-6-8-15(14)12-21-17)23-24-20(25)27-13-18(26)22-16-9-4-3-5-10-16;1-3-24-17(15-11-13(9-10-20-15)18(26)27-2)22-23-19(24)28-12-16(25)21-14-7-5-4-6-8-14;1-3-24-17(15-10-9-13(11-20-15)18(26)27-2)22-23-19(24)28-12-16(25)21-14-7-5-4-6-8-14;1-3-24-18(17-15(13(2)25)10-7-11-20-17)22-23-19(24)27-12-16(26)21-14-8-5-4-6-9-14;1-3-24-18(16-11-14(13(2)25)9-10-20-16)22-23-19(24)27-12-17(26)21-15-7-5-4-6-8-15;1-3-24-18(16-10-9-14(11-20-16)13(2)25)22-23-19(24)27-12-17(26)21-15-7-5-4-6-8-15;22-11-21-15(13-8-4-5-9-17-13)19-20-16(21)24-10-14(23)18-12-6-2-1-3-7-12/h2*3-12H,2,13H2,1H3,(H,23,27);3-5,9-12H,2,6-8,13H2,1H3,(H,22,26);2*4-11H,3,12H2,1-2H3,(H,21,25);3*4-11H,3,12H2,1-2H3,(H,21,26);1-9,11H,10H2,(H,18,23)
InChIKeyZPXHKCVMFXRFGK-UHFFFAOYSA-N
MW3439.12 g/mol
LogP28.60
Rot. Bonds59

About 2-[[5-(3-acetyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(4-acetyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(5-acetyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(1,7-naphthyridin-8-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(2,7-naphthyridin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-formyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;methyl 2-[5-(2-anilino-2-oxoethyl)sulfanyl-4-ethyl-1,2,4-triazol-3-yl]pyridine-4-carboxylate;methyl 6-[5-(2-anilino-2-oxoethyl)sulfanyl-4-ethyl-1,2,4-triazol-3-yl]pyridine-3-carboxylate

2-[[5-(3-acetyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(4-acetyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(5-acetyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(1,7-naphthyridin-8-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(2,7-naphthyridin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-formyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;methyl 2-[5-(2-anilino-2-oxoethyl)sulfanyl-4-ethyl-1,2,4-triazol-3-yl]pyridine-4-carboxylate;methyl 6-[5-(2-anilino-2-oxoethyl)sulfanyl-4-ethyl-1,2,4-triazol-3-yl]pyridine-3-carboxylate (PubChem CID 162187959) has the molecular formula C171H165N47O17S9 and a molecular weight of 3439.12 g/mol. Its IUPAC name is 2-[[5-(3-acetyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(4-acetyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(5-acetyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(1,7-naphthyridin-8-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(2,7-naphthyridin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-formyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;methyl 2-[5-(2-anilino-2-oxoethyl)sulfanyl-4-ethyl-1,2,4-triazol-3-yl]pyridine-4-carboxylate;methyl 6-[5-(2-anilino-2-oxoethyl)sulfanyl-4-ethyl-1,2,4-triazol-3-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Name2-[[5-(3-acetyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(4-acetyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(5-acetyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(1,7-naphthyridin-8-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(2,7-naphthyridin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-formyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;methyl 2-[5-(2-anilino-2-oxoethyl)sulfanyl-4-ethyl-1,2,4-triazol-3-yl]pyridine-4-carboxylate;methyl 6-[5-(2-anilino-2-oxoethyl)sulfanyl-4-ethyl-1,2,4-triazol-3-yl]pyridine-3-carboxylate
PubChem CID162187959
Molecular FormulaC171H165N47O17S9
Molecular Weight3439.12 g/mol
Exact Mass3436.10
IUPAC Name2-[[5-(3-acetyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(4-acetyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(5-acetyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(1,7-naphthyridin-8-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(2,7-naphthyridin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-formyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;methyl 2-[5-(2-anilino-2-oxoethyl)sulfanyl-4-ethyl-1,2,4-triazol-3-yl]pyridine-4-carboxylate;methyl 6-[5-(2-anilino-2-oxoethyl)sulfanyl-4-ethyl-1,2,4-triazol-3-yl]pyridine-3-carboxylate
SMILESCCn1c(SCC(=O)Nc2ccccc2)nnc1-c1cc(C(=O)OC)ccn1.CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1cc(C(C)=O)ccn1.CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1cc2c(cn1)CCC2.CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc(C(=O)OC)cn1.CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc(C(C)=O)cn1.CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1nccc2cccnc12.CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1nccc2ccncc12.CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ncccc1C(C)=O.O=Cn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccn1
InChIInChI=1S/2C20H18N6OS.C20H21N5OS.2C19H19N5O3S.3C19H19N5O2S.C16H13N5O2S/c1-2-26-19(18-17-14(10-12-22-18)7-6-11-21-17)24-25-20(26)28-13-16(27)23-15-8-4-3-5-9-15;1-2-26-19(18-16-12-21-10-8-14(16)9-11-22-18)24-25-20(26)28-13-17(27)23-15-6-4-3-5-7-15;1-2-25-19(17-11-14-7-6-8-15(14)12-21-17)23-24-20(25)27-13-18(26)22-16-9-4-3-5-10-16;1-3-24-17(15-11-13(9-10-20-15)18(26)27-2)22-23-19(24)28-12-16(25)21-14-7-5-4-6-8-14;1-3-24-17(15-10-9-13(11-20-15)18(26)27-2)22-23-19(24)28-12-16(25)21-14-7-5-4-6-8-14;1-3-24-18(17-15(13(2)25)10-7-11-20-17)22-23-19(24)27-12-16(26)21-14-8-5-4-6-9-14;1-3-24-18(16-11-14(13(2)25)9-10-20-16)22-23-19(24)27-12-17(26)21-15-7-5-4-6-8-15;1-3-24-18(16-10-9-14(11-20-16)13(2)25)22-23-19(24)27-12-17(26)21-15-7-5-4-6-8-15;22-11-21-15(13-8-4-5-9-17-13)19-20-16(21)24-10-14(23)18-12-6-2-1-3-7-12/h2*3-12H,2,13H2,1H3,(H,23,27);3-5,9-12H,2,6-8,13H2,1H3,(H,22,26);2*4-11H,3,12H2,1-2H3,(H,21,25);3*4-11H,3,12H2,1-2H3,(H,21,26);1-9,11H,10H2,(H,18,23)
InChIKeyZPXHKCVMFXRFGK-UHFFFAOYSA-N
XLogP28.60
TPSA800.96 Ų
H-Bond Donors9
H-Bond Acceptors64
Rotatable Bonds59
Heavy Atoms244
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003439.12
LogP ≤ 528.60
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1064

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-[[5-(3-acetyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(4-acetyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(5-acetyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(1,7-naphthyridin-8-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(2,7-naphthyridin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-formyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;methyl 2-[5-(2-anilino-2-oxoethyl)sulfanyl-4-ethyl-1,2,4-triazol-3-yl]pyridine-4-carboxylate;methyl 6-[5-(2-anilino-2-oxoethyl)sulfanyl-4-ethyl-1,2,4-triazol-3-yl]pyridine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-acetyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(4-acetyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(5-acetyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(1,7-naphthyridin-8-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(2,7-naphthyridin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-formyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;methyl 2-[5-(2-anilino-2-oxoethyl)sulfanyl-4-ethyl-1,2,4-triazol-3-yl]pyridine-4-carboxylate;methyl 6-[5-(2-anilino-2-oxoethyl)sulfanyl-4-ethyl-1,2,4-triazol-3-yl]pyridine-3-carboxylate?
The IUPAC name of 2-[[5-(3-acetyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(4-acetyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(5-acetyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(1,7-naphthyridin-8-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(2,7-naphthyridin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-formyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;methyl 2-[5-(2-anilino-2-oxoethyl)sulfanyl-4-ethyl-1,2,4-triazol-3-yl]pyridine-4-carboxylate;methyl 6-[5-(2-anilino-2-oxoethyl)sulfanyl-4-ethyl-1,2,4-triazol-3-yl]pyridine-3-carboxylate (CID 162187959) is 2-[[5-(3-acetyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(4-acetyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(5-acetyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(1,7-naphthyridin-8-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(2,7-naphthyridin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-formyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;methyl 2-[5-(2-anilino-2-oxoethyl)sulfanyl-4-ethyl-1,2,4-triazol-3-yl]pyridine-4-carboxylate;methyl 6-[5-(2-anilino-2-oxoethyl)sulfanyl-4-ethyl-1,2,4-triazol-3-yl]pyridine-3-carboxylate.
What is the SMILES notation for 2-[[5-(3-acetyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(4-acetyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(5-acetyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(1,7-naphthyridin-8-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(2,7-naphthyridin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-formyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;methyl 2-[5-(2-anilino-2-oxoethyl)sulfanyl-4-ethyl-1,2,4-triazol-3-yl]pyridine-4-carboxylate;methyl 6-[5-(2-anilino-2-oxoethyl)sulfanyl-4-ethyl-1,2,4-triazol-3-yl]pyridine-3-carboxylate?
The canonical SMILES for 2-[[5-(3-acetyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(4-acetyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(5-acetyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(1,7-naphthyridin-8-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(2,7-naphthyridin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-formyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;methyl 2-[5-(2-anilino-2-oxoethyl)sulfanyl-4-ethyl-1,2,4-triazol-3-yl]pyridine-4-carboxylate;methyl 6-[5-(2-anilino-2-oxoethyl)sulfanyl-4-ethyl-1,2,4-triazol-3-yl]pyridine-3-carboxylate is CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1cc(C(=O)OC)ccn1.CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1cc(C(C)=O)ccn1.CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1cc2c(cn1)CCC2.CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc(C(=O)OC)cn1.CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc(C(C)=O)cn1.CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1nccc2cccnc12.CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1nccc2ccncc12.CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ncccc1C(C)=O.O=Cn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccn1.
What is the InChIKey of 2-[[5-(3-acetyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(4-acetyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(5-acetyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(1,7-naphthyridin-8-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(2,7-naphthyridin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-formyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;methyl 2-[5-(2-anilino-2-oxoethyl)sulfanyl-4-ethyl-1,2,4-triazol-3-yl]pyridine-4-carboxylate;methyl 6-[5-(2-anilino-2-oxoethyl)sulfanyl-4-ethyl-1,2,4-triazol-3-yl]pyridine-3-carboxylate?
The InChIKey is ZPXHKCVMFXRFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H18N6OS.C20H21N5OS.2C19H19N5O3S.3C19H19N5O2S.C16H13N5O2S/c1-2-26-19(18-17-14(10-12-22-18)7-6-11-21-17)24-25-20(26)28-13-16(27)23-15-8-4-3-5-9-15;1-2-26-19(18-16-12-21-10-8-14(16)9-11-22-18)24-25-20(26)28-13-17(27)23-15-6-4-3-5-7-15;1-2-25-19(17-11-14-7-6-8-15(14)12-21-17)23-24-20(25)27-13-18(26)22-16-9-4-3-5-10-16;1-3-24-17(15-11-13(9-10-20-15)18(26)27-2)22-23-19(24)28-12-16(25)21-14-7-5-4-6-8-14;1-3-24-17(15-10-9-13(11-20-15)18(26)27-2)22-23-19(24)28-12-16(25)21-14-7-5-4-6-8-14;1-3-24-18(17-15(13(2)25)10-7-11-20-17)22-23-19(24)27-12-16(26)21-14-8-5-4-6-9-14;1-3-24-18(16-11-14(13(2)25)9-10-20-16)22-23-19(24)27-12-17(26)21-15-7-5-4-6-8-15;1-3-24-18(16-10-9-14(11-20-16)13(2)25)22-23-19(24)27-12-17(26)21-15-7-5-4-6-8-15;22-11-21-15(13-8-4-5-9-17-13)19-20-16(21)24-10-14(23)18-12-6-2-1-3-7-12/h2*3-12H,2,13H2,1H3,(H,23,27);3-5,9-12H,2,6-8,13H2,1H3,(H,22,26);2*4-11H,3,12H2,1-2H3,(H,21,25);3*4-11H,3,12H2,1-2H3,(H,21,26);1-9,11H,10H2,(H,18,23).
What are the key properties of 2-[[5-(3-acetyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(4-acetyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(5-acetyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(1,7-naphthyridin-8-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(2,7-naphthyridin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-formyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;methyl 2-[5-(2-anilino-2-oxoethyl)sulfanyl-4-ethyl-1,2,4-triazol-3-yl]pyridine-4-carboxylate;methyl 6-[5-(2-anilino-2-oxoethyl)sulfanyl-4-ethyl-1,2,4-triazol-3-yl]pyridine-3-carboxylate?
2-[[5-(3-acetyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(4-acetyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(5-acetyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(1,7-naphthyridin-8-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(2,7-naphthyridin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-formyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;methyl 2-[5-(2-anilino-2-oxoethyl)sulfanyl-4-ethyl-1,2,4-triazol-3-yl]pyridine-4-carboxylate;methyl 6-[5-(2-anilino-2-oxoethyl)sulfanyl-4-ethyl-1,2,4-triazol-3-yl]pyridine-3-carboxylate has a molecular weight of 3439.12 g/mol, XLogP of 28.60, 59 rotatable bonds, 9 hydrogen bond donors, and 64 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-acetyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(4-acetyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(5-acetyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(1,7-naphthyridin-8-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(2,7-naphthyridin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-formyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;methyl 2-[5-(2-anilino-2-oxoethyl)sulfanyl-4-ethyl-1,2,4-triazol-3-yl]pyridine-4-carboxylate;methyl 6-[5-(2-anilino-2-oxoethyl)sulfanyl-4-ethyl-1,2,4-triazol-3-yl]pyridine-3-carboxylate is sourced from PubChem (CID 162187959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).