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

C19H20N4OS — CID 71521352

IUPAC3-[3-cyclopentylsulfanyl-5-(phenoxymethyl)-1,2,4-triazol-4-yl]pyridine
SMILESc1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1
InChIInChI=1S/C19H20N4OS/c1-2-8-16(9-3-1)24-14-18-21-22-19(25-17-10-4-5-11-17)23(18)15-7-6-12-20-13-15/h1-3,6-9,12-13,17H,4-5,10-11,14H2
InChIKeyYICOMQJXLKJTLW-UHFFFAOYSA-N
MW352.46 g/mol
LogP4.28
Rot. Bonds6

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

3-[3-cyclopentylsulfanyl-5-(phenoxymethyl)-1,2,4-triazol-4-yl]pyridine (PubChem CID 71521352) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is 3-[3-cyclopentylsulfanyl-5-(phenoxymethyl)-1,2,4-triazol-4-yl]pyridine.

Molecular Properties

Compound Name3-[3-cyclopentylsulfanyl-5-(phenoxymethyl)-1,2,4-triazol-4-yl]pyridine
PubChem CID71521352
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC Name3-[3-cyclopentylsulfanyl-5-(phenoxymethyl)-1,2,4-triazol-4-yl]pyridine
SMILESc1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1
InChIInChI=1S/C19H20N4OS/c1-2-8-16(9-3-1)24-14-18-21-22-19(25-17-10-4-5-11-17)23(18)15-7-6-12-20-13-15/h1-3,6-9,12-13,17H,4-5,10-11,14H2
InChIKeyYICOMQJXLKJTLW-UHFFFAOYSA-N
XLogP4.28
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-Ethyl-5-((4-methoxybenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine
CID 936091
N-(2-Ethoxyphenyl)-2-((4-ET-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide
CID 662347
2-((4-Ethyl-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N-(2-methoxyphenyl)acetamide
CID 662834
2-((4-(4-Ethoxyphenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide
CID 1418060
2-{[4-Allyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL]sulfanyl}-N-(2-methoxyphenyl)acetamide
CID 662828
5-Nitro-2-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pyridine
CID 1327659
6-(Phenoxymethyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 662259
3-[4-(2-Methoxy-phenyl)-5-pyridin-3-yl-4H-[1,2,4]triazol-3-ylsulfanyl]-propionic acid ethyl ester
CID 651394
2-[[4-(2-Ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3244328
2-[4-(6-Methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]-5-phenoxypyrazine
CID 16062053
(S)-2-methoxy-5-(3-(methoxymethyl)-5-(3-(o-tolyloxy)pyrrolidin-1-yl)-4H-1,2,4-triazol-4-yl)pyridine
CID 46225082
2-methoxy-5-(3-methyl-5-(3-phenoxyazetidin-1-yl)-4H-1,2,4-triazol-4-yl)pyridine
CID 46225083

Frequently Asked Questions

What is the IUPAC name of 3-[3-cyclopentylsulfanyl-5-(phenoxymethyl)-1,2,4-triazol-4-yl]pyridine?
The IUPAC name of 3-[3-cyclopentylsulfanyl-5-(phenoxymethyl)-1,2,4-triazol-4-yl]pyridine (CID 71521352) is 3-[3-cyclopentylsulfanyl-5-(phenoxymethyl)-1,2,4-triazol-4-yl]pyridine.
What is the SMILES notation for 3-[3-cyclopentylsulfanyl-5-(phenoxymethyl)-1,2,4-triazol-4-yl]pyridine?
The canonical SMILES for 3-[3-cyclopentylsulfanyl-5-(phenoxymethyl)-1,2,4-triazol-4-yl]pyridine is c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1.
What is the InChIKey of 3-[3-cyclopentylsulfanyl-5-(phenoxymethyl)-1,2,4-triazol-4-yl]pyridine?
The InChIKey is YICOMQJXLKJTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c1-2-8-16(9-3-1)24-14-18-21-22-19(25-17-10-4-5-11-17)23(18)15-7-6-12-20-13-15/h1-3,6-9,12-13,17H,4-5,10-11,14H2.
What are the key properties of 3-[3-cyclopentylsulfanyl-5-(phenoxymethyl)-1,2,4-triazol-4-yl]pyridine?
3-[3-cyclopentylsulfanyl-5-(phenoxymethyl)-1,2,4-triazol-4-yl]pyridine has a molecular weight of 352.46 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-cyclopentylsulfanyl-5-(phenoxymethyl)-1,2,4-triazol-4-yl]pyridine is sourced from PubChem (CID 71521352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).