4-(1-benzofuran-3-yl)-2H-benzotriazole

C14H9N3O — CID 173067277

IUPAC4-(1-benzofuran-3-yl)-2H-benzotriazole
SMILESc1cc(-c2coc3ccccc23)c2n[nH]nc2c1
InChIInChI=1S/C14H9N3O/c1-2-7-13-9(4-1)11(8-18-13)10-5-3-6-12-14(10)16-17-15-12/h1-8H,(H,15,16,17)
InChIKeyHAFLMYKZZBDCNN-UHFFFAOYSA-N
MW235.25 g/mol
LogP3.37
Rot. Bonds1

About 4-(1-benzofuran-3-yl)-2H-benzotriazole

4-(1-benzofuran-3-yl)-2H-benzotriazole (PubChem CID 173067277) has the molecular formula C14H9N3O and a molecular weight of 235.25 g/mol. Its IUPAC name is 4-(1-benzofuran-3-yl)-2H-benzotriazole.

Molecular Properties

Compound Name4-(1-benzofuran-3-yl)-2H-benzotriazole
PubChem CID173067277
Molecular FormulaC14H9N3O
Molecular Weight235.25 g/mol
Exact Mass235.07
IUPAC Name4-(1-benzofuran-3-yl)-2H-benzotriazole
SMILESc1cc(-c2coc3ccccc23)c2n[nH]nc2c1
InChIInChI=1S/C14H9N3O/c1-2-7-13-9(4-1)11(8-18-13)10-5-3-6-12-14(10)16-17-15-12/h1-8H,(H,15,16,17)
InChIKeyHAFLMYKZZBDCNN-UHFFFAOYSA-N
XLogP3.37
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-3-yl)-2H-benzotriazole?
The IUPAC name of 4-(1-benzofuran-3-yl)-2H-benzotriazole (CID 173067277) is 4-(1-benzofuran-3-yl)-2H-benzotriazole.
What is the SMILES notation for 4-(1-benzofuran-3-yl)-2H-benzotriazole?
The canonical SMILES for 4-(1-benzofuran-3-yl)-2H-benzotriazole is c1cc(-c2coc3ccccc23)c2n[nH]nc2c1.
What is the InChIKey of 4-(1-benzofuran-3-yl)-2H-benzotriazole?
The InChIKey is HAFLMYKZZBDCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O/c1-2-7-13-9(4-1)11(8-18-13)10-5-3-6-12-14(10)16-17-15-12/h1-8H,(H,15,16,17).
What are the key properties of 4-(1-benzofuran-3-yl)-2H-benzotriazole?
4-(1-benzofuran-3-yl)-2H-benzotriazole has a molecular weight of 235.25 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-3-yl)-2H-benzotriazole is sourced from PubChem (CID 173067277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).