4-[2-(5-methoxy-1-benzofuran-2-yl)ethenyl]pyridazine

C15H12N2O2 — CID 136518654

IUPAC4-[2-(5-methoxy-1-benzofuran-2-yl)ethenyl]pyridazine
SMILESCOc1ccc2oc(C=Cc3ccnnc3)cc2c1
InChIInChI=1S/C15H12N2O2/c1-18-13-4-5-15-12(8-13)9-14(19-15)3-2-11-6-7-16-17-10-11/h2-10H,1H3
InChIKeyKRYJSQYHYUOGOQ-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.40
Rot. Bonds3

About 4-[2-(5-methoxy-1-benzofuran-2-yl)ethenyl]pyridazine

4-[2-(5-methoxy-1-benzofuran-2-yl)ethenyl]pyridazine (PubChem CID 136518654) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 4-[2-(5-methoxy-1-benzofuran-2-yl)ethenyl]pyridazine.

Molecular Properties

Compound Name4-[2-(5-methoxy-1-benzofuran-2-yl)ethenyl]pyridazine
PubChem CID136518654
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name4-[2-(5-methoxy-1-benzofuran-2-yl)ethenyl]pyridazine
SMILESCOc1ccc2oc(C=Cc3ccnnc3)cc2c1
InChIInChI=1S/C15H12N2O2/c1-18-13-4-5-15-12(8-13)9-14(19-15)3-2-11-6-7-16-17-10-11/h2-10H,1H3
InChIKeyKRYJSQYHYUOGOQ-UHFFFAOYSA-N
XLogP3.40
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-methoxy-1-benzofuran-2-yl)ethenyl]pyridazine?
The IUPAC name of 4-[2-(5-methoxy-1-benzofuran-2-yl)ethenyl]pyridazine (CID 136518654) is 4-[2-(5-methoxy-1-benzofuran-2-yl)ethenyl]pyridazine.
What is the SMILES notation for 4-[2-(5-methoxy-1-benzofuran-2-yl)ethenyl]pyridazine?
The canonical SMILES for 4-[2-(5-methoxy-1-benzofuran-2-yl)ethenyl]pyridazine is COc1ccc2oc(C=Cc3ccnnc3)cc2c1.
What is the InChIKey of 4-[2-(5-methoxy-1-benzofuran-2-yl)ethenyl]pyridazine?
The InChIKey is KRYJSQYHYUOGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-18-13-4-5-15-12(8-13)9-14(19-15)3-2-11-6-7-16-17-10-11/h2-10H,1H3.
What are the key properties of 4-[2-(5-methoxy-1-benzofuran-2-yl)ethenyl]pyridazine?
4-[2-(5-methoxy-1-benzofuran-2-yl)ethenyl]pyridazine has a molecular weight of 252.27 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-methoxy-1-benzofuran-2-yl)ethenyl]pyridazine is sourced from PubChem (CID 136518654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).