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

C20H14N4O2 — CID 75465881

IUPAC7-(1-benzofuran-2-yl)-2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1ccccc1-c1nc2nccc(-c3cc4ccccc4o3)n2n1
InChIInChI=1S/C20H14N4O2/c1-25-17-9-5-3-7-14(17)19-22-20-21-11-10-15(24(20)23-19)18-12-13-6-2-4-8-16(13)26-18/h2-12H,1H3
InChIKeyAUFHFNVHWDGHMG-UHFFFAOYSA-N
MW342.36 g/mol
LogP4.21
Rot. Bonds3

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

7-(1-benzofuran-2-yl)-2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 75465881) has the molecular formula C20H14N4O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is 7-(1-benzofuran-2-yl)-2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(1-benzofuran-2-yl)-2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID75465881
Molecular FormulaC20H14N4O2
Molecular Weight342.36 g/mol
Exact Mass342.11
IUPAC Name7-(1-benzofuran-2-yl)-2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1ccccc1-c1nc2nccc(-c3cc4ccccc4o3)n2n1
InChIInChI=1S/C20H14N4O2/c1-25-17-9-5-3-7-14(17)19-22-20-21-11-10-15(24(20)23-19)18-12-13-6-2-4-8-16(13)26-18/h2-12H,1H3
InChIKeyAUFHFNVHWDGHMG-UHFFFAOYSA-N
XLogP4.21
TPSA65.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 54.21
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-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(1-benzofuran-2-yl)-2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 75465881) is 7-(1-benzofuran-2-yl)-2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(1-benzofuran-2-yl)-2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(1-benzofuran-2-yl)-2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine is COc1ccccc1-c1nc2nccc(-c3cc4ccccc4o3)n2n1.
What is the InChIKey of 7-(1-benzofuran-2-yl)-2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is AUFHFNVHWDGHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O2/c1-25-17-9-5-3-7-14(17)19-22-20-21-11-10-15(24(20)23-19)18-12-13-6-2-4-8-16(13)26-18/h2-12H,1H3.
What are the key properties of 7-(1-benzofuran-2-yl)-2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(1-benzofuran-2-yl)-2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 342.36 g/mol, XLogP of 4.21, 3 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-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 75465881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).