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

C19H19FN4OS — CID 71521793

IUPAC3-[3-cyclopentylsulfanyl-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-4-yl]pyridine
SMILESFc1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1
InChIInChI=1S/C19H19FN4OS/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
InChIKeyJKYRQBXVHWZLII-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.42
Rot. Bonds6

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

3-[3-cyclopentylsulfanyl-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-4-yl]pyridine (PubChem CID 71521793) has the molecular formula C19H19FN4OS and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-[3-cyclopentylsulfanyl-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-4-yl]pyridine.

Molecular Properties

Compound Name3-[3-cyclopentylsulfanyl-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-4-yl]pyridine
PubChem CID71521793
Molecular FormulaC19H19FN4OS
Molecular Weight370.45 g/mol
Exact Mass370.13
IUPAC Name3-[3-cyclopentylsulfanyl-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-4-yl]pyridine
SMILESFc1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1
InChIInChI=1S/C19H19FN4OS/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
InChIKeyJKYRQBXVHWZLII-UHFFFAOYSA-N
XLogP4.42
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-cyclopentylsulfanyl-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-4-yl]pyridine?
The IUPAC name of 3-[3-cyclopentylsulfanyl-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-4-yl]pyridine (CID 71521793) is 3-[3-cyclopentylsulfanyl-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-4-yl]pyridine.
What is the SMILES notation for 3-[3-cyclopentylsulfanyl-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-4-yl]pyridine?
The canonical SMILES for 3-[3-cyclopentylsulfanyl-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-4-yl]pyridine is Fc1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1.
What is the InChIKey of 3-[3-cyclopentylsulfanyl-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-4-yl]pyridine?
The InChIKey is JKYRQBXVHWZLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4OS/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-cyclopentylsulfanyl-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-4-yl]pyridine?
3-[3-cyclopentylsulfanyl-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-4-yl]pyridine has a molecular weight of 370.45 g/mol, XLogP of 4.42, 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-[(4-fluorophenoxy)methyl]-1,2,4-triazol-4-yl]pyridine is sourced from PubChem (CID 71521793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).