7-(4-fluoro-2-methoxyphenyl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine

C16H11FN4OS — CID 71702658

IUPAC7-(4-fluoro-2-methoxyphenyl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1cc(F)ccc1-c1ccnc2nc(-c3cccs3)nn12
InChIInChI=1S/C16H11FN4OS/c1-22-13-9-10(17)4-5-11(13)12-6-7-18-16-19-15(20-21(12)16)14-3-2-8-23-14/h2-9H,1H3
InChIKeyCASIHQIPQMIIBM-UHFFFAOYSA-N
MW326.36 g/mol
LogP3.67
Rot. Bonds3

About 7-(4-fluoro-2-methoxyphenyl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine

7-(4-fluoro-2-methoxyphenyl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 71702658) has the molecular formula C16H11FN4OS and a molecular weight of 326.36 g/mol. Its IUPAC name is 7-(4-fluoro-2-methoxyphenyl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-fluoro-2-methoxyphenyl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID71702658
Molecular FormulaC16H11FN4OS
Molecular Weight326.36 g/mol
Exact Mass326.06
IUPAC Name7-(4-fluoro-2-methoxyphenyl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1cc(F)ccc1-c1ccnc2nc(-c3cccs3)nn12
InChIInChI=1S/C16H11FN4OS/c1-22-13-9-10(17)4-5-11(13)12-6-7-18-16-19-15(20-21(12)16)14-3-2-8-23-14/h2-9H,1H3
InChIKeyCASIHQIPQMIIBM-UHFFFAOYSA-N
XLogP3.67
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluoro-2-methoxyphenyl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-fluoro-2-methoxyphenyl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 71702658) is 7-(4-fluoro-2-methoxyphenyl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-fluoro-2-methoxyphenyl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-fluoro-2-methoxyphenyl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine is COc1cc(F)ccc1-c1ccnc2nc(-c3cccs3)nn12.
What is the InChIKey of 7-(4-fluoro-2-methoxyphenyl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is CASIHQIPQMIIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4OS/c1-22-13-9-10(17)4-5-11(13)12-6-7-18-16-19-15(20-21(12)16)14-3-2-8-23-14/h2-9H,1H3.
What are the key properties of 7-(4-fluoro-2-methoxyphenyl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(4-fluoro-2-methoxyphenyl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 326.36 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluoro-2-methoxyphenyl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 71702658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).