4-[2-[6-(thiophen-2-ylmethoxy)pyridazin-3-yl]ethyl]benzaldehyde

C18H16N2O2S — CID 59439128

IUPAC4-[2-[6-(thiophen-2-ylmethoxy)pyridazin-3-yl]ethyl]benzaldehyde
SMILESO=Cc1ccc(CCc2ccc(OCc3cccs3)nn2)cc1
InChIInChI=1S/C18H16N2O2S/c21-12-15-5-3-14(4-6-15)7-8-16-9-10-18(20-19-16)22-13-17-2-1-11-23-17/h1-6,9-12H,7-8,13H2
InChIKeyOZWMNCSYHARMGP-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.71
Rot. Bonds7

About 4-[2-[6-(thiophen-2-ylmethoxy)pyridazin-3-yl]ethyl]benzaldehyde

4-[2-[6-(thiophen-2-ylmethoxy)pyridazin-3-yl]ethyl]benzaldehyde (PubChem CID 59439128) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is 4-[2-[6-(thiophen-2-ylmethoxy)pyridazin-3-yl]ethyl]benzaldehyde.

Molecular Properties

Compound Name4-[2-[6-(thiophen-2-ylmethoxy)pyridazin-3-yl]ethyl]benzaldehyde
PubChem CID59439128
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name4-[2-[6-(thiophen-2-ylmethoxy)pyridazin-3-yl]ethyl]benzaldehyde
SMILESO=Cc1ccc(CCc2ccc(OCc3cccs3)nn2)cc1
InChIInChI=1S/C18H16N2O2S/c21-12-15-5-3-14(4-6-15)7-8-16-9-10-18(20-19-16)22-13-17-2-1-11-23-17/h1-6,9-12H,7-8,13H2
InChIKeyOZWMNCSYHARMGP-UHFFFAOYSA-N
XLogP3.71
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 4-[2-[6-(thiophen-2-ylmethoxy)pyridazin-3-yl]ethyl]benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Phenylpyridazin-3-yl thiophene-2-carboxylate
CID 6403448
2-[6-(4-Methoxyphenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone
CID 7205890
3-[(2-Fluorophenyl)methylsulfanyl]-6-(furan-2-yl)pyridazine
CID 7207095
3-Benzylsulfanyl-6-(furan-2-yl)pyridazine
CID 6624186
3-[(3-Fluorophenyl)methylthio]-6-(2-furanyl)pyridazine
CID 7207093
3-(Furan-2-yl)-6-((4-methylbenzyl)thio)pyridazine
CID 7207103
1-(4-Fluorophenyl)-2-((6-(furan-2-yl)pyridazin-3-yl)thio)ethanone
CID 7207252
N-[3-(6-ethoxypyridazin-3-yl)phenyl]thiophene-2-carboxamide
CID 7422527
3-(Furan-2-yl)-6-((3-methylbenzyl)thio)pyridazine
CID 7207092
1-(4-Methoxyphenyl)-2-((6-(p-tolyl)pyridazin-3-yl)thio)ethanone
CID 7206013
2-[6-(3-Methoxyphenyl)pyridazin-3-yl]sulfanyl-1-phenylethanone
CID 7206253
3-((4-Fluorobenzyl)thio)-6-(furan-2-yl)pyridazine
CID 7207098

Frequently Asked Questions

What is the IUPAC name of 4-[2-[6-(thiophen-2-ylmethoxy)pyridazin-3-yl]ethyl]benzaldehyde?
The IUPAC name of 4-[2-[6-(thiophen-2-ylmethoxy)pyridazin-3-yl]ethyl]benzaldehyde (CID 59439128) is 4-[2-[6-(thiophen-2-ylmethoxy)pyridazin-3-yl]ethyl]benzaldehyde.
What is the SMILES notation for 4-[2-[6-(thiophen-2-ylmethoxy)pyridazin-3-yl]ethyl]benzaldehyde?
The canonical SMILES for 4-[2-[6-(thiophen-2-ylmethoxy)pyridazin-3-yl]ethyl]benzaldehyde is O=Cc1ccc(CCc2ccc(OCc3cccs3)nn2)cc1.
What is the InChIKey of 4-[2-[6-(thiophen-2-ylmethoxy)pyridazin-3-yl]ethyl]benzaldehyde?
The InChIKey is OZWMNCSYHARMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c21-12-15-5-3-14(4-6-15)7-8-16-9-10-18(20-19-16)22-13-17-2-1-11-23-17/h1-6,9-12H,7-8,13H2.
What are the key properties of 4-[2-[6-(thiophen-2-ylmethoxy)pyridazin-3-yl]ethyl]benzaldehyde?
4-[2-[6-(thiophen-2-ylmethoxy)pyridazin-3-yl]ethyl]benzaldehyde has a molecular weight of 324.41 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[6-(thiophen-2-ylmethoxy)pyridazin-3-yl]ethyl]benzaldehyde is sourced from PubChem (CID 59439128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).