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

C16H15FN4O2 — CID 71703533

IUPAC7-(2-fluoro-4-methoxyphenyl)-2-(oxolan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2ccnc3nc(C4CCCO4)nn23)c(F)c1
InChIInChI=1S/C16H15FN4O2/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/h4-7,9,14H,2-3,8H2,1H3
InChIKeyYORCOBRJBIELPZ-UHFFFAOYSA-N
MW314.32 g/mol
LogP2.79
Rot. Bonds3

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

7-(2-fluoro-4-methoxyphenyl)-2-(oxolan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 71703533) has the molecular formula C16H15FN4O2 and a molecular weight of 314.32 g/mol. Its IUPAC name is 7-(2-fluoro-4-methoxyphenyl)-2-(oxolan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(2-fluoro-4-methoxyphenyl)-2-(oxolan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID71703533
Molecular FormulaC16H15FN4O2
Molecular Weight314.32 g/mol
Exact Mass314.12
IUPAC Name7-(2-fluoro-4-methoxyphenyl)-2-(oxolan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2ccnc3nc(C4CCCO4)nn23)c(F)c1
InChIInChI=1S/C16H15FN4O2/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/h4-7,9,14H,2-3,8H2,1H3
InChIKeyYORCOBRJBIELPZ-UHFFFAOYSA-N
XLogP2.79
TPSA61.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-(2-fluoro-4-methoxyphenyl)-2-(oxolan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(2-fluoro-4-methoxyphenyl)-2-(oxolan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(2-fluoro-4-methoxyphenyl)-2-(oxolan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 71703533) is 7-(2-fluoro-4-methoxyphenyl)-2-(oxolan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(2-fluoro-4-methoxyphenyl)-2-(oxolan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(2-fluoro-4-methoxyphenyl)-2-(oxolan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is COc1ccc(-c2ccnc3nc(C4CCCO4)nn23)c(F)c1.
What is the InChIKey of 7-(2-fluoro-4-methoxyphenyl)-2-(oxolan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is YORCOBRJBIELPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2/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/h4-7,9,14H,2-3,8H2,1H3.
What are the key properties of 7-(2-fluoro-4-methoxyphenyl)-2-(oxolan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(2-fluoro-4-methoxyphenyl)-2-(oxolan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 314.32 g/mol, XLogP of 2.79, 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-(oxolan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 71703533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).