3-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine

C14H12FN3OS — CID 7888771

IUPAC3-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1ccc(F)cc1CSc1nnc2ccccn12
InChIInChI=1S/C14H12FN3OS/c1-19-12-6-5-11(15)8-10(12)9-20-14-17-16-13-4-2-3-7-18(13)14/h2-8H,9H2,1H3
InChIKeyJORIXBXJXXUBCW-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.17
Rot. Bonds4

About 3-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine

3-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 7888771) has the molecular formula C14H12FN3OS and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID7888771
Molecular FormulaC14H12FN3OS
Molecular Weight289.34 g/mol
Exact Mass289.07
IUPAC Name3-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1ccc(F)cc1CSc1nnc2ccccn12
InChIInChI=1S/C14H12FN3OS/c1-19-12-6-5-11(15)8-10(12)9-20-14-17-16-13-4-2-3-7-18(13)14/h2-8H,9H2,1H3
InChIKeyJORIXBXJXXUBCW-UHFFFAOYSA-N
XLogP3.17
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine (CID 7888771) is 3-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine is COc1ccc(F)cc1CSc1nnc2ccccn12.
What is the InChIKey of 3-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is JORIXBXJXXUBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3OS/c1-19-12-6-5-11(15)8-10(12)9-20-14-17-16-13-4-2-3-7-18(13)14/h2-8H,9H2,1H3.
What are the key properties of 3-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine?
3-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 289.34 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 7888771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).