1-cyclohexyl-3-(2-methoxyethyl)-5-(4-methoxyphenyl)-1,2,4-triazole

C18H25N3O2 — CID 167810339

IUPAC1-cyclohexyl-3-(2-methoxyethyl)-5-(4-methoxyphenyl)-1,2,4-triazole
SMILESCOCCc1nc(-c2ccc(OC)cc2)n(C2CCCCC2)n1
InChIInChI=1S/C18H25N3O2/c1-22-13-12-17-19-18(14-8-10-16(23-2)11-9-14)21(20-17)15-6-4-3-5-7-15/h8-11,15H,3-7,12-13H2,1-2H3
InChIKeyYUXNXHYTCLSWAS-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.65
Rot. Bonds6

About 1-cyclohexyl-3-(2-methoxyethyl)-5-(4-methoxyphenyl)-1,2,4-triazole

1-cyclohexyl-3-(2-methoxyethyl)-5-(4-methoxyphenyl)-1,2,4-triazole (PubChem CID 167810339) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2-methoxyethyl)-5-(4-methoxyphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-cyclohexyl-3-(2-methoxyethyl)-5-(4-methoxyphenyl)-1,2,4-triazole
PubChem CID167810339
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-cyclohexyl-3-(2-methoxyethyl)-5-(4-methoxyphenyl)-1,2,4-triazole
SMILESCOCCc1nc(-c2ccc(OC)cc2)n(C2CCCCC2)n1
InChIInChI=1S/C18H25N3O2/c1-22-13-12-17-19-18(14-8-10-16(23-2)11-9-14)21(20-17)15-6-4-3-5-7-15/h8-11,15H,3-7,12-13H2,1-2H3
InChIKeyYUXNXHYTCLSWAS-UHFFFAOYSA-N
XLogP3.65
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopentyl-3-cyclopropyl-5-(4-methoxyphenyl)-1,2,4-triazole
CID 146145839
3-[1-cyclopentyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]pyridine
CID 146145846
1-cyclopentyl-4-ethyl-3,5-bis(4-methoxyphenyl)pyrazole
CID 19587444
4-cyclohexyl-3-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazole
CID 78762729
4-bromo-1-cyclobutyl-3,5-bis(4-methoxyphenyl)pyrazole
CID 22725477
1-cyclohexyl-5-[2-(4-methoxyphenoxy)ethylsulfanyl]tetrazole
CID 647011
6-cyclohexyl-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 932850
1-cyclopentyl-7-fluoro-3-(4-methoxyphenyl)indazole
CID 68884306
1-cyclohexyl-4-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743142
2-[1-cyclohexyl-5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-triazol-3-yl]acetamide
CID 72939759
1-cyclohexyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 59836213
7-[5-(2-methoxyethyl)-2-(4-methylphenyl)-1,2,4-triazol-3-yl]-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 167918172

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2-methoxyethyl)-5-(4-methoxyphenyl)-1,2,4-triazole?
The IUPAC name of 1-cyclohexyl-3-(2-methoxyethyl)-5-(4-methoxyphenyl)-1,2,4-triazole (CID 167810339) is 1-cyclohexyl-3-(2-methoxyethyl)-5-(4-methoxyphenyl)-1,2,4-triazole.
What is the SMILES notation for 1-cyclohexyl-3-(2-methoxyethyl)-5-(4-methoxyphenyl)-1,2,4-triazole?
The canonical SMILES for 1-cyclohexyl-3-(2-methoxyethyl)-5-(4-methoxyphenyl)-1,2,4-triazole is COCCc1nc(-c2ccc(OC)cc2)n(C2CCCCC2)n1.
What is the InChIKey of 1-cyclohexyl-3-(2-methoxyethyl)-5-(4-methoxyphenyl)-1,2,4-triazole?
The InChIKey is YUXNXHYTCLSWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-22-13-12-17-19-18(14-8-10-16(23-2)11-9-14)21(20-17)15-6-4-3-5-7-15/h8-11,15H,3-7,12-13H2,1-2H3.
What are the key properties of 1-cyclohexyl-3-(2-methoxyethyl)-5-(4-methoxyphenyl)-1,2,4-triazole?
1-cyclohexyl-3-(2-methoxyethyl)-5-(4-methoxyphenyl)-1,2,4-triazole has a molecular weight of 315.42 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2-methoxyethyl)-5-(4-methoxyphenyl)-1,2,4-triazole is sourced from PubChem (CID 167810339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).