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

C20H17FN4O — CID 75465581

IUPAC7-(4-fluoro-2-methoxyphenyl)-2-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1cc(F)ccc1-c1ccnc2nc(CCc3ccccc3)nn12
InChIInChI=1S/C20H17FN4O/c1-26-18-13-15(21)8-9-16(18)17-11-12-22-20-23-19(24-25(17)20)10-7-14-5-3-2-4-6-14/h2-6,8-9,11-13H,7,10H2,1H3
InChIKeyXCABGZBQAAXICO-UHFFFAOYSA-N
MW348.38 g/mol
LogP3.72
Rot. Bonds5

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

7-(4-fluoro-2-methoxyphenyl)-2-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 75465581) has the molecular formula C20H17FN4O and a molecular weight of 348.38 g/mol. Its IUPAC name is 7-(4-fluoro-2-methoxyphenyl)-2-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-fluoro-2-methoxyphenyl)-2-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID75465581
Molecular FormulaC20H17FN4O
Molecular Weight348.38 g/mol
Exact Mass348.14
IUPAC Name7-(4-fluoro-2-methoxyphenyl)-2-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1cc(F)ccc1-c1ccnc2nc(CCc3ccccc3)nn12
InChIInChI=1S/C20H17FN4O/c1-26-18-13-15(21)8-9-16(18)17-11-12-22-20-23-19(24-25(17)20)10-7-14-5-3-2-4-6-14/h2-6,8-9,11-13H,7,10H2,1H3
InChIKeyXCABGZBQAAXICO-UHFFFAOYSA-N
XLogP3.72
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluoro-2-methoxyphenyl)-2-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-fluoro-2-methoxyphenyl)-2-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 75465581) is 7-(4-fluoro-2-methoxyphenyl)-2-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-fluoro-2-methoxyphenyl)-2-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-fluoro-2-methoxyphenyl)-2-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is COc1cc(F)ccc1-c1ccnc2nc(CCc3ccccc3)nn12.
What is the InChIKey of 7-(4-fluoro-2-methoxyphenyl)-2-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is XCABGZBQAAXICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O/c1-26-18-13-15(21)8-9-16(18)17-11-12-22-20-23-19(24-25(17)20)10-7-14-5-3-2-4-6-14/h2-6,8-9,11-13H,7,10H2,1H3.
What are the key properties of 7-(4-fluoro-2-methoxyphenyl)-2-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(4-fluoro-2-methoxyphenyl)-2-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 348.38 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluoro-2-methoxyphenyl)-2-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 75465581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).