3-(2-fluoro-6-methoxyphenyl)-5-thiophen-2-yl-1H-1,2,4-triazole

C13H10FN3OS — CID 65432489

IUPAC3-(2-fluoro-6-methoxyphenyl)-5-thiophen-2-yl-1H-1,2,4-triazole
SMILESCOc1cccc(F)c1-c1n[nH]c(-c2cccs2)n1
InChIInChI=1S/C13H10FN3OS/c1-18-9-5-2-4-8(14)11(9)13-15-12(16-17-13)10-6-3-7-19-10/h2-7H,1H3,(H,15,16,17)
InChIKeyNRLUMFISFCFOJQ-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.35
Rot. Bonds3

About 3-(2-fluoro-6-methoxyphenyl)-5-thiophen-2-yl-1H-1,2,4-triazole

3-(2-fluoro-6-methoxyphenyl)-5-thiophen-2-yl-1H-1,2,4-triazole (PubChem CID 65432489) has the molecular formula C13H10FN3OS and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-(2-fluoro-6-methoxyphenyl)-5-thiophen-2-yl-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-(2-fluoro-6-methoxyphenyl)-5-thiophen-2-yl-1H-1,2,4-triazole
PubChem CID65432489
Molecular FormulaC13H10FN3OS
Molecular Weight275.31 g/mol
Exact Mass275.05
IUPAC Name3-(2-fluoro-6-methoxyphenyl)-5-thiophen-2-yl-1H-1,2,4-triazole
SMILESCOc1cccc(F)c1-c1n[nH]c(-c2cccs2)n1
InChIInChI=1S/C13H10FN3OS/c1-18-9-5-2-4-8(14)11(9)13-15-12(16-17-13)10-6-3-7-19-10/h2-7H,1H3,(H,15,16,17)
InChIKeyNRLUMFISFCFOJQ-UHFFFAOYSA-N
XLogP3.35
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-6-methoxyphenyl)-5-thiophen-2-yl-1H-1,2,4-triazole?
The IUPAC name of 3-(2-fluoro-6-methoxyphenyl)-5-thiophen-2-yl-1H-1,2,4-triazole (CID 65432489) is 3-(2-fluoro-6-methoxyphenyl)-5-thiophen-2-yl-1H-1,2,4-triazole.
What is the SMILES notation for 3-(2-fluoro-6-methoxyphenyl)-5-thiophen-2-yl-1H-1,2,4-triazole?
The canonical SMILES for 3-(2-fluoro-6-methoxyphenyl)-5-thiophen-2-yl-1H-1,2,4-triazole is COc1cccc(F)c1-c1n[nH]c(-c2cccs2)n1.
What is the InChIKey of 3-(2-fluoro-6-methoxyphenyl)-5-thiophen-2-yl-1H-1,2,4-triazole?
The InChIKey is NRLUMFISFCFOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3OS/c1-18-9-5-2-4-8(14)11(9)13-15-12(16-17-13)10-6-3-7-19-10/h2-7H,1H3,(H,15,16,17).
What are the key properties of 3-(2-fluoro-6-methoxyphenyl)-5-thiophen-2-yl-1H-1,2,4-triazole?
3-(2-fluoro-6-methoxyphenyl)-5-thiophen-2-yl-1H-1,2,4-triazole has a molecular weight of 275.31 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-6-methoxyphenyl)-5-thiophen-2-yl-1H-1,2,4-triazole is sourced from PubChem (CID 65432489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).