5-cyclopentyl-3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole

C20H21N3O — CID 146533306

IUPAC5-cyclopentyl-3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole
SMILESc1ccc(COc2ccc(-c3n[nH]c(C4CCCC4)n3)cc2)cc1
InChIInChI=1S/C20H21N3O/c1-2-6-15(7-3-1)14-24-18-12-10-17(11-13-18)20-21-19(22-23-20)16-8-4-5-9-16/h1-3,6-7,10-13,16H,4-5,8-9,14H2,(H,21,22,23)
InChIKeyXOUZVZLDXQOMNT-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.71
Rot. Bonds5

About 5-cyclopentyl-3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole

5-cyclopentyl-3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole (PubChem CID 146533306) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 5-cyclopentyl-3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-cyclopentyl-3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole
PubChem CID146533306
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name5-cyclopentyl-3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole
SMILESc1ccc(COc2ccc(-c3n[nH]c(C4CCCC4)n3)cc2)cc1
InChIInChI=1S/C20H21N3O/c1-2-6-15(7-3-1)14-24-18-12-10-17(11-13-18)20-21-19(22-23-20)16-8-4-5-9-16/h1-3,6-7,10-13,16H,4-5,8-9,14H2,(H,21,22,23)
InChIKeyXOUZVZLDXQOMNT-UHFFFAOYSA-N
XLogP4.71
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(oxetan-3-yl)-3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole
CID 153483601
5-cyclopropyl-3-phenyl-1H-1,2,4-triazole
CID 61338880
5-(1-fluorocyclopropyl)-3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole
CID 146512227
2-[4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)phenyl]ethanamine
CID 61337767
1-benzyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine
CID 141321764
4-(4-phenylmethoxyphenyl)-2-pyrrolidin-2-yl-1,3-thiazole
CID 113229452
2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)pyridine
CID 61338696
4-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-N,N-dimethylaniline
CID 61338708
5-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methylpyridine
CID 61339281
5-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole
CID 61338165
3-cyclopentyl-2-(4-phenylmethoxyphenyl)cyclopent-2-en-1-one
CID 66879244
2-phenyl-1-[(3S)-3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
CID 95111045

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole?
The IUPAC name of 5-cyclopentyl-3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole (CID 146533306) is 5-cyclopentyl-3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-cyclopentyl-3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-cyclopentyl-3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole is c1ccc(COc2ccc(-c3n[nH]c(C4CCCC4)n3)cc2)cc1.
What is the InChIKey of 5-cyclopentyl-3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole?
The InChIKey is XOUZVZLDXQOMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-2-6-15(7-3-1)14-24-18-12-10-17(11-13-18)20-21-19(22-23-20)16-8-4-5-9-16/h1-3,6-7,10-13,16H,4-5,8-9,14H2,(H,21,22,23).
What are the key properties of 5-cyclopentyl-3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole?
5-cyclopentyl-3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole has a molecular weight of 319.41 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole is sourced from PubChem (CID 146533306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).