4,5-dimethyl-3-methylsulfanyl-6-propan-2-ylpyridazine

C10H16N2S — CID 126626230

IUPAC4,5-dimethyl-3-methylsulfanyl-6-propan-2-ylpyridazine
SMILESCSc1nnc(C(C)C)c(C)c1C
InChIInChI=1S/C10H16N2S/c1-6(2)9-7(3)8(4)10(13-5)12-11-9/h6H,1-5H3
InChIKeyOMBHXGWSOBDWLL-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.94
Rot. Bonds2

About 4,5-dimethyl-3-methylsulfanyl-6-propan-2-ylpyridazine

4,5-dimethyl-3-methylsulfanyl-6-propan-2-ylpyridazine (PubChem CID 126626230) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 4,5-dimethyl-3-methylsulfanyl-6-propan-2-ylpyridazine.

Molecular Properties

Compound Name4,5-dimethyl-3-methylsulfanyl-6-propan-2-ylpyridazine
PubChem CID126626230
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name4,5-dimethyl-3-methylsulfanyl-6-propan-2-ylpyridazine
SMILESCSc1nnc(C(C)C)c(C)c1C
InChIInChI=1S/C10H16N2S/c1-6(2)9-7(3)8(4)10(13-5)12-11-9/h6H,1-5H3
InChIKeyOMBHXGWSOBDWLL-UHFFFAOYSA-N
XLogP2.94
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3-methylsulfanyl-6-propan-2-ylpyridazine?
The IUPAC name of 4,5-dimethyl-3-methylsulfanyl-6-propan-2-ylpyridazine (CID 126626230) is 4,5-dimethyl-3-methylsulfanyl-6-propan-2-ylpyridazine.
What is the SMILES notation for 4,5-dimethyl-3-methylsulfanyl-6-propan-2-ylpyridazine?
The canonical SMILES for 4,5-dimethyl-3-methylsulfanyl-6-propan-2-ylpyridazine is CSc1nnc(C(C)C)c(C)c1C.
What is the InChIKey of 4,5-dimethyl-3-methylsulfanyl-6-propan-2-ylpyridazine?
The InChIKey is OMBHXGWSOBDWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-6(2)9-7(3)8(4)10(13-5)12-11-9/h6H,1-5H3.
What are the key properties of 4,5-dimethyl-3-methylsulfanyl-6-propan-2-ylpyridazine?
4,5-dimethyl-3-methylsulfanyl-6-propan-2-ylpyridazine has a molecular weight of 196.32 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-3-methylsulfanyl-6-propan-2-ylpyridazine is sourced from PubChem (CID 126626230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).