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
SMILESCOC1=CC=CC=C1C2=NN3C(=CC=NC3=N2)C4=CC5=CC=CC=C5O4
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
MW342.30 g/mol
LogP3.80
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 342.30 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 Weight342.30 g/mol
Exact Mass342.11
IUPAC Name7-(1-benzofuran-2-yl)-2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOC1=CC=CC=C1C2=NN3C(=CC=NC3=N2)C4=CC5=CC=CC=C5O4
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
XLogP3.80
TPSA65.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity492

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.30
LogP ≤ 53.80
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-(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 COC1=CC=CC=C1C2=NN3C(=CC=NC3=N2)C4=CC5=CC=CC=C5O4.
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 342.30 g/mol, XLogP of 3.80, 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-(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).