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

C17H14N4O — CID 75465985

IUPAC7-(1-benzofuran-2-yl)-2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESc1ccc2oc(-c3ccnc4nc(C5CCC5)nn34)cc2c1
InChIInChI=1S/C17H14N4O/c1-2-7-14-12(4-1)10-15(22-14)13-8-9-18-17-19-16(20-21(13)17)11-5-3-6-11/h1-2,4,7-11H,3,5-6H2
InChIKeyQMWFQOWEGSIZSP-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.81
Rot. Bonds2

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

7-(1-benzofuran-2-yl)-2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 75465985) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is 7-(1-benzofuran-2-yl)-2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(1-benzofuran-2-yl)-2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID75465985
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name7-(1-benzofuran-2-yl)-2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESc1ccc2oc(-c3ccnc4nc(C5CCC5)nn34)cc2c1
InChIInChI=1S/C17H14N4O/c1-2-7-14-12(4-1)10-15(22-14)13-8-9-18-17-19-16(20-21(13)17)11-5-3-6-11/h1-2,4,7-11H,3,5-6H2
InChIKeyQMWFQOWEGSIZSP-UHFFFAOYSA-N
XLogP3.81
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.81
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-cyclobutyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(1-benzofuran-2-yl)-2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 75465985) is 7-(1-benzofuran-2-yl)-2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(1-benzofuran-2-yl)-2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(1-benzofuran-2-yl)-2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyrimidine is c1ccc2oc(-c3ccnc4nc(C5CCC5)nn34)cc2c1.
What is the InChIKey of 7-(1-benzofuran-2-yl)-2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is QMWFQOWEGSIZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c1-2-7-14-12(4-1)10-15(22-14)13-8-9-18-17-19-16(20-21(13)17)11-5-3-6-11/h1-2,4,7-11H,3,5-6H2.
What are the key properties of 7-(1-benzofuran-2-yl)-2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(1-benzofuran-2-yl)-2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 290.33 g/mol, XLogP of 3.81, 2 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-cyclobutyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 75465985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).