3-[3-[(4-chlorophenoxy)methyl]-5-cyclopentylsulfanyl-1,2,4-triazol-4-yl]pyridine

C19H19ClN4OS — CID 71521791

IUPAC3-[3-[(4-chlorophenoxy)methyl]-5-cyclopentylsulfanyl-1,2,4-triazol-4-yl]pyridine
SMILESClc1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1
InChIInChI=1S/C19H19ClN4OS/c20-14-7-9-16(10-8-14)25-13-18-22-23-19(26-17-5-1-2-6-17)24(18)15-4-3-11-21-12-15/h3-4,7-12,17H,1-2,5-6,13H2
InChIKeyWUKGMFLNNJTTKN-UHFFFAOYSA-N
MW386.91 g/mol
LogP4.93
Rot. Bonds6

About 3-[3-[(4-chlorophenoxy)methyl]-5-cyclopentylsulfanyl-1,2,4-triazol-4-yl]pyridine

3-[3-[(4-chlorophenoxy)methyl]-5-cyclopentylsulfanyl-1,2,4-triazol-4-yl]pyridine (PubChem CID 71521791) has the molecular formula C19H19ClN4OS and a molecular weight of 386.91 g/mol. Its IUPAC name is 3-[3-[(4-chlorophenoxy)methyl]-5-cyclopentylsulfanyl-1,2,4-triazol-4-yl]pyridine.

Molecular Properties

Compound Name3-[3-[(4-chlorophenoxy)methyl]-5-cyclopentylsulfanyl-1,2,4-triazol-4-yl]pyridine
PubChem CID71521791
Molecular FormulaC19H19ClN4OS
Molecular Weight386.91 g/mol
Exact Mass386.10
IUPAC Name3-[3-[(4-chlorophenoxy)methyl]-5-cyclopentylsulfanyl-1,2,4-triazol-4-yl]pyridine
SMILESClc1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1
InChIInChI=1S/C19H19ClN4OS/c20-14-7-9-16(10-8-14)25-13-18-22-23-19(26-17-5-1-2-6-17)24(18)15-4-3-11-21-12-15/h3-4,7-12,17H,1-2,5-6,13H2
InChIKeyWUKGMFLNNJTTKN-UHFFFAOYSA-N
XLogP4.93
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.91
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[3-[(4-chlorophenoxy)methyl]-5-cyclopentylsulfanyl-1,2,4-triazol-4-yl]pyridine with MolForge

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Related Compounds

Cligosiban
CID 11683187
6-[(4-Chlorophenoxy)methyl]-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 665584
2-[4-(2-Ethoxy-phenyl)-5-pyridin-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl]-N,N-diethyl-acetamide
CID 656177
N-(2-chloro-3-pyridinyl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2090294
4-(5-{[2-(2-chlorophenoxy)ethyl]thio}-4-methyl-4H-1,2,4-triazol-3-yl)pyridine
CID 2105283
4-chlorophenyl [5-(2-pyridinyl)-1H-1,2,4-triazol-3-yl]methyl ether
CID 2108987
4-[5-[2-(3-Chlorophenoxy)ethylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyridine
CID 2114155
4-[5-[2-(4-Chlorophenoxy)ethylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyridine
CID 2119780
5-(3-(3-(2-chlorophenoxy)azetidin-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl)-2-methoxypyridine
CID 46225116
5-(3-(3-(2-chlorophenoxy)azetidin-1-yl)-5-(methoxymethyl)-4H-1,2,4-triazol-4-yl)-2-methoxypyridine
CID 46225117
3-[3-Cyclopentylsulfanyl-5-[(3,4-dichlorophenoxy)methyl]-1,2,4-triazol-4-yl]pyridine
CID 71520306
3-[3-[(4-Chloro-3,5-dimethylphenoxy)methyl]-5-cyclopentylsulfanyl-1,2,4-triazol-4-yl]pyridine
CID 71520308

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4-chlorophenoxy)methyl]-5-cyclopentylsulfanyl-1,2,4-triazol-4-yl]pyridine?
The IUPAC name of 3-[3-[(4-chlorophenoxy)methyl]-5-cyclopentylsulfanyl-1,2,4-triazol-4-yl]pyridine (CID 71521791) is 3-[3-[(4-chlorophenoxy)methyl]-5-cyclopentylsulfanyl-1,2,4-triazol-4-yl]pyridine.
What is the SMILES notation for 3-[3-[(4-chlorophenoxy)methyl]-5-cyclopentylsulfanyl-1,2,4-triazol-4-yl]pyridine?
The canonical SMILES for 3-[3-[(4-chlorophenoxy)methyl]-5-cyclopentylsulfanyl-1,2,4-triazol-4-yl]pyridine is Clc1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1.
What is the InChIKey of 3-[3-[(4-chlorophenoxy)methyl]-5-cyclopentylsulfanyl-1,2,4-triazol-4-yl]pyridine?
The InChIKey is WUKGMFLNNJTTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4OS/c20-14-7-9-16(10-8-14)25-13-18-22-23-19(26-17-5-1-2-6-17)24(18)15-4-3-11-21-12-15/h3-4,7-12,17H,1-2,5-6,13H2.
What are the key properties of 3-[3-[(4-chlorophenoxy)methyl]-5-cyclopentylsulfanyl-1,2,4-triazol-4-yl]pyridine?
3-[3-[(4-chlorophenoxy)methyl]-5-cyclopentylsulfanyl-1,2,4-triazol-4-yl]pyridine has a molecular weight of 386.91 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-chlorophenoxy)methyl]-5-cyclopentylsulfanyl-1,2,4-triazol-4-yl]pyridine is sourced from PubChem (CID 71521791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).