3-(1-benzofuran-7-yl)pyridazine

C12H8N2O — CID 175986904

IUPAC3-(1-benzofuran-7-yl)pyridazine
SMILESc1cnnc(-c2cccc3ccoc23)c1
InChIInChI=1S/C12H8N2O/c1-3-9-6-8-15-12(9)10(4-1)11-5-2-7-13-14-11/h1-8H
InChIKeyFBVHXENYRQNQEH-UHFFFAOYSA-N
MW196.21 g/mol
LogP2.89
Rot. Bonds1

About 3-(1-benzofuran-7-yl)pyridazine

3-(1-benzofuran-7-yl)pyridazine (PubChem CID 175986904) has the molecular formula C12H8N2O and a molecular weight of 196.21 g/mol. Its IUPAC name is 3-(1-benzofuran-7-yl)pyridazine.

Molecular Properties

Compound Name3-(1-benzofuran-7-yl)pyridazine
PubChem CID175986904
Molecular FormulaC12H8N2O
Molecular Weight196.21 g/mol
Exact Mass196.06
IUPAC Name3-(1-benzofuran-7-yl)pyridazine
SMILESc1cnnc(-c2cccc3ccoc23)c1
InChIInChI=1S/C12H8N2O/c1-3-9-6-8-15-12(9)10(4-1)11-5-2-7-13-14-11/h1-8H
InChIKeyFBVHXENYRQNQEH-UHFFFAOYSA-N
XLogP2.89
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-7-yl)pyridazine?
The IUPAC name of 3-(1-benzofuran-7-yl)pyridazine (CID 175986904) is 3-(1-benzofuran-7-yl)pyridazine.
What is the SMILES notation for 3-(1-benzofuran-7-yl)pyridazine?
The canonical SMILES for 3-(1-benzofuran-7-yl)pyridazine is c1cnnc(-c2cccc3ccoc23)c1.
What is the InChIKey of 3-(1-benzofuran-7-yl)pyridazine?
The InChIKey is FBVHXENYRQNQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O/c1-3-9-6-8-15-12(9)10(4-1)11-5-2-7-13-14-11/h1-8H.
What are the key properties of 3-(1-benzofuran-7-yl)pyridazine?
3-(1-benzofuran-7-yl)pyridazine has a molecular weight of 196.21 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-7-yl)pyridazine is sourced from PubChem (CID 175986904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).