3-(3,4-dimethoxyphenyl)-6-methylsulfanylpyridazine

C13H14N2O2S — CID 3227975

IUPAC3-(3,4-dimethoxyphenyl)-6-methylsulfanylpyridazine
SMILESCOc1ccc(-c2ccc(SC)nn2)cc1OC
InChIInChI=1S/C13H14N2O2S/c1-16-11-6-4-9(8-12(11)17-2)10-5-7-13(18-3)15-14-10/h4-8H,1-3H3
InChIKeyUCRWMYONEKWFSG-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.88
Rot. Bonds4

About 3-(3,4-dimethoxyphenyl)-6-methylsulfanylpyridazine

3-(3,4-dimethoxyphenyl)-6-methylsulfanylpyridazine (PubChem CID 3227975) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-6-methylsulfanylpyridazine.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-6-methylsulfanylpyridazine
PubChem CID3227975
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name3-(3,4-dimethoxyphenyl)-6-methylsulfanylpyridazine
SMILESCOc1ccc(-c2ccc(SC)nn2)cc1OC
InChIInChI=1S/C13H14N2O2S/c1-16-11-6-4-9(8-12(11)17-2)10-5-7-13(18-3)15-14-10/h4-8H,1-3H3
InChIKeyUCRWMYONEKWFSG-UHFFFAOYSA-N
XLogP2.88
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-6-methylsulfanylpyridazine?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-6-methylsulfanylpyridazine (CID 3227975) is 3-(3,4-dimethoxyphenyl)-6-methylsulfanylpyridazine.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-6-methylsulfanylpyridazine?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-6-methylsulfanylpyridazine is COc1ccc(-c2ccc(SC)nn2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-6-methylsulfanylpyridazine?
The InChIKey is UCRWMYONEKWFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-16-11-6-4-9(8-12(11)17-2)10-5-7-13(18-3)15-14-10/h4-8H,1-3H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-6-methylsulfanylpyridazine?
3-(3,4-dimethoxyphenyl)-6-methylsulfanylpyridazine has a molecular weight of 262.33 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-6-methylsulfanylpyridazine is sourced from PubChem (CID 3227975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).