5-(2-cyclopentylethyl)-3-(1-phenylethylsulfanyl)-1H-1,2,4-triazole

C17H23N3S — CID 24649273

IUPAC5-(2-cyclopentylethyl)-3-(1-phenylethylsulfanyl)-1H-1,2,4-triazole
SMILESCC(Sc1n[nH]c(CCC2CCCC2)n1)c1ccccc1
InChIInChI=1S/C17H23N3S/c1-13(15-9-3-2-4-10-15)21-17-18-16(19-20-17)12-11-14-7-5-6-8-14/h2-4,9-10,13-14H,5-8,11-12H2,1H3,(H,18,19,20)
InChIKeyQSIWTPFCNCDCJG-UHFFFAOYSA-N
MW301.46 g/mol
LogP4.78
Rot. Bonds6

About 5-(2-cyclopentylethyl)-3-(1-phenylethylsulfanyl)-1H-1,2,4-triazole

5-(2-cyclopentylethyl)-3-(1-phenylethylsulfanyl)-1H-1,2,4-triazole (PubChem CID 24649273) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is 5-(2-cyclopentylethyl)-3-(1-phenylethylsulfanyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(2-cyclopentylethyl)-3-(1-phenylethylsulfanyl)-1H-1,2,4-triazole
PubChem CID24649273
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC Name5-(2-cyclopentylethyl)-3-(1-phenylethylsulfanyl)-1H-1,2,4-triazole
SMILESCC(Sc1n[nH]c(CCC2CCCC2)n1)c1ccccc1
InChIInChI=1S/C17H23N3S/c1-13(15-9-3-2-4-10-15)21-17-18-16(19-20-17)12-11-14-7-5-6-8-14/h2-4,9-10,13-14H,5-8,11-12H2,1H3,(H,18,19,20)
InChIKeyQSIWTPFCNCDCJG-UHFFFAOYSA-N
XLogP4.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzhydryl-2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 46695557
2-[1-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-(2-fluorophenyl)-1,3,4-thiadiazole
CID 86816919
(2R)-2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide
CID 42411065
2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)-2-phenylacetamide
CID 46695285
6-[1-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 42889441
N-(4-tert-butylphenyl)-2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 18291862
2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine
CID 42411301
N-(3-chlorophenyl)-2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 55508900
2-benzyl-4-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole
CID 38876989
N-cyclopropyl-2-phenyl-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 18134304
3-[(1S)-1-phenylethyl]sulfanyl-5-propan-2-yl-1H-1,2,4-triazole
CID 25388624
2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1-(difluoromethyl)benzimidazole
CID 32929373

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopentylethyl)-3-(1-phenylethylsulfanyl)-1H-1,2,4-triazole?
The IUPAC name of 5-(2-cyclopentylethyl)-3-(1-phenylethylsulfanyl)-1H-1,2,4-triazole (CID 24649273) is 5-(2-cyclopentylethyl)-3-(1-phenylethylsulfanyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-(2-cyclopentylethyl)-3-(1-phenylethylsulfanyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-(2-cyclopentylethyl)-3-(1-phenylethylsulfanyl)-1H-1,2,4-triazole is CC(Sc1n[nH]c(CCC2CCCC2)n1)c1ccccc1.
What is the InChIKey of 5-(2-cyclopentylethyl)-3-(1-phenylethylsulfanyl)-1H-1,2,4-triazole?
The InChIKey is QSIWTPFCNCDCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-13(15-9-3-2-4-10-15)21-17-18-16(19-20-17)12-11-14-7-5-6-8-14/h2-4,9-10,13-14H,5-8,11-12H2,1H3,(H,18,19,20).
What are the key properties of 5-(2-cyclopentylethyl)-3-(1-phenylethylsulfanyl)-1H-1,2,4-triazole?
5-(2-cyclopentylethyl)-3-(1-phenylethylsulfanyl)-1H-1,2,4-triazole has a molecular weight of 301.46 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopentylethyl)-3-(1-phenylethylsulfanyl)-1H-1,2,4-triazole is sourced from PubChem (CID 24649273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).