5-ethenyl-3,4-dimethyl-6-methylsulfanylpyridazine

C9H12N2S — CID 123321780

IUPAC5-ethenyl-3,4-dimethyl-6-methylsulfanylpyridazine
SMILESC=Cc1c(SC)nnc(C)c1C
InChIInChI=1S/C9H12N2S/c1-5-8-6(2)7(3)10-11-9(8)12-4/h5H,1H2,2-4H3
InChIKeyPKLMNFCQZYXMEH-UHFFFAOYSA-N
MW180.28 g/mol
LogP2.46
Rot. Bonds2

About 5-ethenyl-3,4-dimethyl-6-methylsulfanylpyridazine

5-ethenyl-3,4-dimethyl-6-methylsulfanylpyridazine (PubChem CID 123321780) has the molecular formula C9H12N2S and a molecular weight of 180.28 g/mol. Its IUPAC name is 5-ethenyl-3,4-dimethyl-6-methylsulfanylpyridazine.

Molecular Properties

Compound Name5-ethenyl-3,4-dimethyl-6-methylsulfanylpyridazine
PubChem CID123321780
Molecular FormulaC9H12N2S
Molecular Weight180.28 g/mol
Exact Mass180.07
IUPAC Name5-ethenyl-3,4-dimethyl-6-methylsulfanylpyridazine
SMILESC=Cc1c(SC)nnc(C)c1C
InChIInChI=1S/C9H12N2S/c1-5-8-6(2)7(3)10-11-9(8)12-4/h5H,1H2,2-4H3
InChIKeyPKLMNFCQZYXMEH-UHFFFAOYSA-N
XLogP2.46
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.28
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-3,4-dimethyl-6-methylsulfanylpyridazine?
The IUPAC name of 5-ethenyl-3,4-dimethyl-6-methylsulfanylpyridazine (CID 123321780) is 5-ethenyl-3,4-dimethyl-6-methylsulfanylpyridazine.
What is the SMILES notation for 5-ethenyl-3,4-dimethyl-6-methylsulfanylpyridazine?
The canonical SMILES for 5-ethenyl-3,4-dimethyl-6-methylsulfanylpyridazine is C=Cc1c(SC)nnc(C)c1C.
What is the InChIKey of 5-ethenyl-3,4-dimethyl-6-methylsulfanylpyridazine?
The InChIKey is PKLMNFCQZYXMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2S/c1-5-8-6(2)7(3)10-11-9(8)12-4/h5H,1H2,2-4H3.
What are the key properties of 5-ethenyl-3,4-dimethyl-6-methylsulfanylpyridazine?
5-ethenyl-3,4-dimethyl-6-methylsulfanylpyridazine has a molecular weight of 180.28 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-3,4-dimethyl-6-methylsulfanylpyridazine is sourced from PubChem (CID 123321780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).