3-methoxy-6-(6-propoxy-1-benzothiophen-2-yl)pyridazine

C16H16N2O2S — CID 59536222

IUPAC3-methoxy-6-(6-propoxy-1-benzothiophen-2-yl)pyridazine
SMILESCCCOc1ccc2cc(-c3ccc(OC)nn3)sc2c1
InChIInChI=1S/C16H16N2O2S/c1-3-8-20-12-5-4-11-9-15(21-14(11)10-12)13-6-7-16(19-2)18-17-13/h4-7,9-10H,3,8H2,1-2H3
InChIKeyJOHXDBRCCWIXFX-UHFFFAOYSA-N
MW300.38 g/mol
LogP4.16
Rot. Bonds5

About 3-methoxy-6-(6-propoxy-1-benzothiophen-2-yl)pyridazine

3-methoxy-6-(6-propoxy-1-benzothiophen-2-yl)pyridazine (PubChem CID 59536222) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 3-methoxy-6-(6-propoxy-1-benzothiophen-2-yl)pyridazine.

Molecular Properties

Compound Name3-methoxy-6-(6-propoxy-1-benzothiophen-2-yl)pyridazine
PubChem CID59536222
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name3-methoxy-6-(6-propoxy-1-benzothiophen-2-yl)pyridazine
SMILESCCCOc1ccc2cc(-c3ccc(OC)nn3)sc2c1
InChIInChI=1S/C16H16N2O2S/c1-3-8-20-12-5-4-11-9-15(21-14(11)10-12)13-6-7-16(19-2)18-17-13/h4-7,9-10H,3,8H2,1-2H3
InChIKeyJOHXDBRCCWIXFX-UHFFFAOYSA-N
XLogP4.16
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-(6-propoxy-1-benzothiophen-2-yl)pyridazine?
The IUPAC name of 3-methoxy-6-(6-propoxy-1-benzothiophen-2-yl)pyridazine (CID 59536222) is 3-methoxy-6-(6-propoxy-1-benzothiophen-2-yl)pyridazine.
What is the SMILES notation for 3-methoxy-6-(6-propoxy-1-benzothiophen-2-yl)pyridazine?
The canonical SMILES for 3-methoxy-6-(6-propoxy-1-benzothiophen-2-yl)pyridazine is CCCOc1ccc2cc(-c3ccc(OC)nn3)sc2c1.
What is the InChIKey of 3-methoxy-6-(6-propoxy-1-benzothiophen-2-yl)pyridazine?
The InChIKey is JOHXDBRCCWIXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-3-8-20-12-5-4-11-9-15(21-14(11)10-12)13-6-7-16(19-2)18-17-13/h4-7,9-10H,3,8H2,1-2H3.
What are the key properties of 3-methoxy-6-(6-propoxy-1-benzothiophen-2-yl)pyridazine?
3-methoxy-6-(6-propoxy-1-benzothiophen-2-yl)pyridazine has a molecular weight of 300.38 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-(6-propoxy-1-benzothiophen-2-yl)pyridazine is sourced from PubChem (CID 59536222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).