3-cyclopentyloxy-5-(phenoxymethyl)-4-phenyl-1,2,4-triazole

C20H21N3O2 — CID 71521028

IUPAC3-cyclopentyloxy-5-(phenoxymethyl)-4-phenyl-1,2,4-triazole
SMILESc1ccc(OCc2nnc(OC3CCCC3)n2-c2ccccc2)cc1
InChIInChI=1S/C20H21N3O2/c1-3-9-16(10-4-1)23-19(15-24-17-11-5-2-6-12-17)21-22-20(23)25-18-13-7-8-14-18/h1-6,9-12,18H,7-8,13-15H2
InChIKeyTUKXMCVAXXDATP-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.17
Rot. Bonds6

About 3-cyclopentyloxy-5-(phenoxymethyl)-4-phenyl-1,2,4-triazole

3-cyclopentyloxy-5-(phenoxymethyl)-4-phenyl-1,2,4-triazole (PubChem CID 71521028) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-cyclopentyloxy-5-(phenoxymethyl)-4-phenyl-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclopentyloxy-5-(phenoxymethyl)-4-phenyl-1,2,4-triazole
PubChem CID71521028
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name3-cyclopentyloxy-5-(phenoxymethyl)-4-phenyl-1,2,4-triazole
SMILESc1ccc(OCc2nnc(OC3CCCC3)n2-c2ccccc2)cc1
InChIInChI=1S/C20H21N3O2/c1-3-9-16(10-4-1)23-19(15-24-17-11-5-2-6-12-17)21-22-20(23)25-18-13-7-8-14-18/h1-6,9-12,18H,7-8,13-15H2
InChIKeyTUKXMCVAXXDATP-UHFFFAOYSA-N
XLogP4.17
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-((5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid
CID 373871
3-(Benzylthio)-5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazole
CID 1162727
1-[3-[4-(3,5-Dimethyl-1,2,4-triazol-4-yl)phenoxy]propyl]piperidine
CID 90654501
2-(5-Phenoxymethyl-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-propionic acid
CID 3144281
2-[[4-(2-Ethoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 653234
2-{[4-(4-ethoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 665942
2-{[4-(4-methoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 666191
3-{[2-(4-methoxyphenoxy)ethyl]thio}-5-methyl-4-phenyl-4H-1,2,4-triazole
CID 1781520
3-{[2-(2-methoxyphenoxy)ethyl]sulfanyl}-5-methyl-4-phenyl-4H-1,2,4-triazole
CID 1815824
5-(Phenoxymethyl)-1-phenyltetrazole
CID 2969379
5-(4-Methoxy-phenoxymethyl)-1-phenyl-1H-tetrazole
CID 3142138
3-Cyclobutylsulfanyl-5-(phenoxymethyl)-4-phenyl-1,2,4-triazole
CID 71520819

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyloxy-5-(phenoxymethyl)-4-phenyl-1,2,4-triazole?
The IUPAC name of 3-cyclopentyloxy-5-(phenoxymethyl)-4-phenyl-1,2,4-triazole (CID 71521028) is 3-cyclopentyloxy-5-(phenoxymethyl)-4-phenyl-1,2,4-triazole.
What is the SMILES notation for 3-cyclopentyloxy-5-(phenoxymethyl)-4-phenyl-1,2,4-triazole?
The canonical SMILES for 3-cyclopentyloxy-5-(phenoxymethyl)-4-phenyl-1,2,4-triazole is c1ccc(OCc2nnc(OC3CCCC3)n2-c2ccccc2)cc1.
What is the InChIKey of 3-cyclopentyloxy-5-(phenoxymethyl)-4-phenyl-1,2,4-triazole?
The InChIKey is TUKXMCVAXXDATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-3-9-16(10-4-1)23-19(15-24-17-11-5-2-6-12-17)21-22-20(23)25-18-13-7-8-14-18/h1-6,9-12,18H,7-8,13-15H2.
What are the key properties of 3-cyclopentyloxy-5-(phenoxymethyl)-4-phenyl-1,2,4-triazole?
3-cyclopentyloxy-5-(phenoxymethyl)-4-phenyl-1,2,4-triazole has a molecular weight of 335.41 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyloxy-5-(phenoxymethyl)-4-phenyl-1,2,4-triazole is sourced from PubChem (CID 71521028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).