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

C16H11FN4OS — CID 71703186

IUPAC7-(2-fluoro-4-methoxyphenyl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2ccnc3nc(-c4cccs4)nn23)c(F)c1
InChIInChI=1S/C16H11FN4OS/c1-22-10-4-5-11(12(17)9-10)13-6-7-18-16-19-15(20-21(13)16)14-3-2-8-23-14/h2-9H,1H3
InChIKeyGCLAAUNRLZTBAZ-UHFFFAOYSA-N
MW326.36 g/mol
LogP3.67
Rot. Bonds3

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

7-(2-fluoro-4-methoxyphenyl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 71703186) has the molecular formula C16H11FN4OS and a molecular weight of 326.36 g/mol. Its IUPAC name is 7-(2-fluoro-4-methoxyphenyl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(2-fluoro-4-methoxyphenyl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID71703186
Molecular FormulaC16H11FN4OS
Molecular Weight326.36 g/mol
Exact Mass326.06
IUPAC Name7-(2-fluoro-4-methoxyphenyl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2ccnc3nc(-c4cccs4)nn23)c(F)c1
InChIInChI=1S/C16H11FN4OS/c1-22-10-4-5-11(12(17)9-10)13-6-7-18-16-19-15(20-21(13)16)14-3-2-8-23-14/h2-9H,1H3
InChIKeyGCLAAUNRLZTBAZ-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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Related Compounds

6-(4-Methoxyphenyl)-3-(3-thienyl)-pyrazolo(1,5-a)pyrimidine
CID 5329468
7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)-3-(thiophen-2-yl)pyrazolo[1,5-d][1,2,4]triazine
CID 18406916
7-(4-Methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 4773323
Dimethyl(3-{4-[3-(thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy}propyl)amine
CID 5329449
2-Fluoro-4-[6-methyl-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]phenyl methyl ether
CID 1472930
6-(4-Methoxyphenyl)-5-methyl-3-(3-thienyl)pyrazolo[1,5-a]pyrimidin-7-ylamine
CID 1481773
3-Fluoropropyl 4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl ether
CID 3692931
3-Fluoropropyl 4-[1,2,4]triazolo[1,5-a]pyrimidin-7-ylphenyl ether
CID 3725345
2-(Methylsulfanyl)-7-(4-phenoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 1482341
2-[3-Difluoromethyl-5-(2-fluoro-4-methoxy-phenyl)-pyrazol-1-yl]-5-methanesulfonyl-pyridine
CID 10111401
2-[3-Difluoromethyl-5-(3-fluoro-4-methoxy-phenyl)-pyrazol-1-yl]-5-methanesulfonyl-pyridine
CID 10135415
2-[5-(3-Fluoro-4-methoxy-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-5-methanesulfonyl-pyridine
CID 10158760

Frequently Asked Questions

What is the IUPAC name of 7-(2-fluoro-4-methoxyphenyl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(2-fluoro-4-methoxyphenyl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 71703186) is 7-(2-fluoro-4-methoxyphenyl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(2-fluoro-4-methoxyphenyl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(2-fluoro-4-methoxyphenyl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine is COc1ccc(-c2ccnc3nc(-c4cccs4)nn23)c(F)c1.
What is the InChIKey of 7-(2-fluoro-4-methoxyphenyl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is GCLAAUNRLZTBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4OS/c1-22-10-4-5-11(12(17)9-10)13-6-7-18-16-19-15(20-21(13)16)14-3-2-8-23-14/h2-9H,1H3.
What are the key properties of 7-(2-fluoro-4-methoxyphenyl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(2-fluoro-4-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-(2-fluoro-4-methoxyphenyl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 71703186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).