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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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).