7-(1-benzofuran-2-yl)-2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine

C20H13FN4O — CID 75465977

IUPAC7-(1-benzofuran-2-yl)-2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFc1ccc(Cc2nc3nccc(-c4cc5ccccc5o4)n3n2)cc1
InChIInChI=1S/C20H13FN4O/c21-15-7-5-13(6-8-15)11-19-23-20-22-10-9-16(25(20)24-19)18-12-14-3-1-2-4-17(14)26-18/h1-10,12H,11H2
InChIKeyWZXLLIQOJSNRLF-UHFFFAOYSA-N
MW344.35 g/mol
LogP4.27
Rot. Bonds3

About 7-(1-benzofuran-2-yl)-2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine

7-(1-benzofuran-2-yl)-2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 75465977) has the molecular formula C20H13FN4O and a molecular weight of 344.35 g/mol. Its IUPAC name is 7-(1-benzofuran-2-yl)-2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(1-benzofuran-2-yl)-2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID75465977
Molecular FormulaC20H13FN4O
Molecular Weight344.35 g/mol
Exact Mass344.11
IUPAC Name7-(1-benzofuran-2-yl)-2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFc1ccc(Cc2nc3nccc(-c4cc5ccccc5o4)n3n2)cc1
InChIInChI=1S/C20H13FN4O/c21-15-7-5-13(6-8-15)11-19-23-20-22-10-9-16(25(20)24-19)18-12-14-3-1-2-4-17(14)26-18/h1-10,12H,11H2
InChIKeyWZXLLIQOJSNRLF-UHFFFAOYSA-N
XLogP4.27
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(1-benzofuran-2-yl)-2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(1-benzofuran-2-yl)-2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine (CID 75465977) is 7-(1-benzofuran-2-yl)-2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(1-benzofuran-2-yl)-2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(1-benzofuran-2-yl)-2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine is Fc1ccc(Cc2nc3nccc(-c4cc5ccccc5o4)n3n2)cc1.
What is the InChIKey of 7-(1-benzofuran-2-yl)-2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is WZXLLIQOJSNRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN4O/c21-15-7-5-13(6-8-15)11-19-23-20-22-10-9-16(25(20)24-19)18-12-14-3-1-2-4-17(14)26-18/h1-10,12H,11H2.
What are the key properties of 7-(1-benzofuran-2-yl)-2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(1-benzofuran-2-yl)-2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 344.35 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-benzofuran-2-yl)-2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 75465977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).