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

C14H12FN3OS — CID 2633262

IUPAC3-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1ccc(CSc2nnc3ccccn23)cc1F
InChIInChI=1S/C14H12FN3OS/c1-19-12-6-5-10(8-11(12)15)9-20-14-17-16-13-4-2-3-7-18(13)14/h2-8H,9H2,1H3
InChIKeyJRNLRRNJWRPDCK-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.17
Rot. Bonds4

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

3-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 2633262) has the molecular formula C14H12FN3OS and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID2633262
Molecular FormulaC14H12FN3OS
Molecular Weight289.34 g/mol
Exact Mass289.07
IUPAC Name3-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1ccc(CSc2nnc3ccccn23)cc1F
InChIInChI=1S/C14H12FN3OS/c1-19-12-6-5-10(8-11(12)15)9-20-14-17-16-13-4-2-3-7-18(13)14/h2-8H,9H2,1H3
InChIKeyJRNLRRNJWRPDCK-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

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

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Related Compounds

4-(4-Ethyl-5-((4-methoxybenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine
CID 936091
GS-458967
CID 58118983
3-[(3-Methoxyphenyl)methylsulfanyl]-5-pyridin-4-yl-1,2,4-triazol-4-amine
CID 936130
6-(4-methoxyphenyl)-3-(pyridin-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 662866
6-(4-methoxyphenyl)-3-(pyridin-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 663229
6-(2,5-dimethoxyphenyl)-3-(pyridin-4-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 663502
6-[4-(Trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 66849404
6-[4-(Difluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 66849571
3-(Difluoromethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 66849729
6-[2-Methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 87178530
6-[4-(2,2,2-Trifluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 87178657
6-[3-Methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 87178674

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine (CID 2633262) is 3-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine is COc1ccc(CSc2nnc3ccccn23)cc1F.
What is the InChIKey of 3-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is JRNLRRNJWRPDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3OS/c1-19-12-6-5-10(8-11(12)15)9-20-14-17-16-13-4-2-3-7-18(13)14/h2-8H,9H2,1H3.
What are the key properties of 3-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine?
3-[(3-fluoro-4-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-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 2633262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).