3-ethylsulfanyl-6-(3,4,5-trimethoxyphenyl)pyridazine

C15H18N2O3S — CID 7672970

IUPAC3-ethylsulfanyl-6-(3,4,5-trimethoxyphenyl)pyridazine
SMILESCCSc1ccc(-c2cc(OC)c(OC)c(OC)c2)nn1
InChIInChI=1S/C15H18N2O3S/c1-5-21-14-7-6-11(16-17-14)10-8-12(18-2)15(20-4)13(9-10)19-3/h6-9H,5H2,1-4H3
InChIKeyFKSJRIRKIKVYBA-UHFFFAOYSA-N
MW306.39 g/mol
LogP3.28
Rot. Bonds6

About 3-ethylsulfanyl-6-(3,4,5-trimethoxyphenyl)pyridazine

3-ethylsulfanyl-6-(3,4,5-trimethoxyphenyl)pyridazine (PubChem CID 7672970) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 3-ethylsulfanyl-6-(3,4,5-trimethoxyphenyl)pyridazine.

Molecular Properties

Compound Name3-ethylsulfanyl-6-(3,4,5-trimethoxyphenyl)pyridazine
PubChem CID7672970
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name3-ethylsulfanyl-6-(3,4,5-trimethoxyphenyl)pyridazine
SMILESCCSc1ccc(-c2cc(OC)c(OC)c(OC)c2)nn1
InChIInChI=1S/C15H18N2O3S/c1-5-21-14-7-6-11(16-17-14)10-8-12(18-2)15(20-4)13(9-10)19-3/h6-9H,5H2,1-4H3
InChIKeyFKSJRIRKIKVYBA-UHFFFAOYSA-N
XLogP3.28
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-piperidin-1-ylethylsulfanyl)-6-(3,4,5-trimethoxyphenyl)pyridazine
CID 7672513
5-[[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylmethyl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 46329583
N-[(2-chlorophenyl)methyl]-2-[6-(3,4,5-trimethoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 18584258
5-[[6-(4-ethylphenyl)pyridazin-3-yl]sulfanylmethyl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 46329546
3-ethylsulfanyl-6-pyridin-4-ylpyridazine
CID 7207301
3-ethylsulfanyl-6-(4-fluorophenyl)pyridazine
CID 7502818
3-[(3,4-dichlorophenyl)methylsulfanyl]-6-(3,4-dimethoxyphenyl)pyridazine
CID 43936895
ethane;5-ethylsulfanyl-1,2,3-trimethoxybenzene
CID 143026754
3-(3,4-dimethoxyphenyl)-6-[(2-fluorophenyl)methylsulfanyl]pyridazine
CID 7205808
N-cyclopropyl-6-(3,4,5-trimethoxyphenyl)pyridazin-3-amine
CID 74249111
3-(1,3-benzodioxol-5-yl)-6-ethylsulfanylpyridazine
CID 7502887
3-(3,4-dimethoxyphenyl)-6-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyridazine
CID 41376799

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-6-(3,4,5-trimethoxyphenyl)pyridazine?
The IUPAC name of 3-ethylsulfanyl-6-(3,4,5-trimethoxyphenyl)pyridazine (CID 7672970) is 3-ethylsulfanyl-6-(3,4,5-trimethoxyphenyl)pyridazine.
What is the SMILES notation for 3-ethylsulfanyl-6-(3,4,5-trimethoxyphenyl)pyridazine?
The canonical SMILES for 3-ethylsulfanyl-6-(3,4,5-trimethoxyphenyl)pyridazine is CCSc1ccc(-c2cc(OC)c(OC)c(OC)c2)nn1.
What is the InChIKey of 3-ethylsulfanyl-6-(3,4,5-trimethoxyphenyl)pyridazine?
The InChIKey is FKSJRIRKIKVYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-5-21-14-7-6-11(16-17-14)10-8-12(18-2)15(20-4)13(9-10)19-3/h6-9H,5H2,1-4H3.
What are the key properties of 3-ethylsulfanyl-6-(3,4,5-trimethoxyphenyl)pyridazine?
3-ethylsulfanyl-6-(3,4,5-trimethoxyphenyl)pyridazine has a molecular weight of 306.39 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-6-(3,4,5-trimethoxyphenyl)pyridazine is sourced from PubChem (CID 7672970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).