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

C17H10N4OS — CID 75465979

IUPAC7-(1-benzofuran-2-yl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESc1csc(-c2nc3nccc(-c4cc5ccccc5o4)n3n2)c1
InChIInChI=1S/C17H10N4OS/c1-2-5-13-11(4-1)10-14(22-13)12-7-8-18-17-19-16(20-21(12)17)15-6-3-9-23-15/h1-10H
InChIKeyAKSNSOJUKWSHDC-UHFFFAOYSA-N
MW318.36 g/mol
LogP4.27
Rot. Bonds2

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

7-(1-benzofuran-2-yl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 75465979) has the molecular formula C17H10N4OS and a molecular weight of 318.36 g/mol. Its IUPAC name is 7-(1-benzofuran-2-yl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(1-benzofuran-2-yl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID75465979
Molecular FormulaC17H10N4OS
Molecular Weight318.36 g/mol
Exact Mass318.06
IUPAC Name7-(1-benzofuran-2-yl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESc1csc(-c2nc3nccc(-c4cc5ccccc5o4)n3n2)c1
InChIInChI=1S/C17H10N4OS/c1-2-5-13-11(4-1)10-14(22-13)12-7-8-18-17-19-16(20-21(12)17)15-6-3-9-23-15/h1-10H
InChIKeyAKSNSOJUKWSHDC-UHFFFAOYSA-N
XLogP4.27
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(1-benzofuran-2-yl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(1-benzofuran-2-yl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 75465979) is 7-(1-benzofuran-2-yl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(1-benzofuran-2-yl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(1-benzofuran-2-yl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine is c1csc(-c2nc3nccc(-c4cc5ccccc5o4)n3n2)c1.
What is the InChIKey of 7-(1-benzofuran-2-yl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is AKSNSOJUKWSHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N4OS/c1-2-5-13-11(4-1)10-14(22-13)12-7-8-18-17-19-16(20-21(12)17)15-6-3-9-23-15/h1-10H.
What are the key properties of 7-(1-benzofuran-2-yl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(1-benzofuran-2-yl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 318.36 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-benzofuran-2-yl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 75465979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).