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

C9H14N2S — CID 163770690

IUPAC3-ethyl-4,5-dimethyl-6-methylsulfanylpyridazine
SMILESCCc1nnc(SC)c(C)c1C
InChIInChI=1S/C9H14N2S/c1-5-8-6(2)7(3)9(12-4)11-10-8/h5H2,1-4H3
InChIKeyMGDPMWNOALFBFQ-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.38
Rot. Bonds2

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

3-ethyl-4,5-dimethyl-6-methylsulfanylpyridazine (PubChem CID 163770690) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is 3-ethyl-4,5-dimethyl-6-methylsulfanylpyridazine.

Molecular Properties

Compound Name3-ethyl-4,5-dimethyl-6-methylsulfanylpyridazine
PubChem CID163770690
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name3-ethyl-4,5-dimethyl-6-methylsulfanylpyridazine
SMILESCCc1nnc(SC)c(C)c1C
InChIInChI=1S/C9H14N2S/c1-5-8-6(2)7(3)9(12-4)11-10-8/h5H2,1-4H3
InChIKeyMGDPMWNOALFBFQ-UHFFFAOYSA-N
XLogP2.38
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethyl-5-methylsulfanyl-1,2,4-triazine
CID 91618408
6-ethyl-N-[(4-fluoro-2,6-dimethylphenyl)methyl]-4,5-dimethylpyridazin-3-amine
CID 134391576
5-methyl-4,6-bis(methylsulfanyl)pyrimidine
CID 23403399
ethane;6-ethyl-3,5-dimethyl-1,2,4-triazine
CID 170731703
4,6-diethyl-5-methylpyrimidine
CID 56994655
2,4,6-triethyl-5-methylpyrimidine
CID 14199148
(3-butylsulfanyl-5,6-diethylpyridazin-4-yl)methanamine
CID 80514524
[3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5,6-diethylpyridazin-4-yl]methanamine
CID 80515431
6-butyl-N,4,5-trimethylpyridazin-3-amine
CID 106659403
5,6-dimethyl-3-methylsulfanylpyridazine-4-carboxamide
CID 126992144
4-butyl-3-methyl-5-methylsulfanyl-1,2,4-triazole
CID 23459247
6-butyl-N-ethyl-4,5-dimethylpyridazin-3-amine
CID 106659331

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4,5-dimethyl-6-methylsulfanylpyridazine?
The IUPAC name of 3-ethyl-4,5-dimethyl-6-methylsulfanylpyridazine (CID 163770690) is 3-ethyl-4,5-dimethyl-6-methylsulfanylpyridazine.
What is the SMILES notation for 3-ethyl-4,5-dimethyl-6-methylsulfanylpyridazine?
The canonical SMILES for 3-ethyl-4,5-dimethyl-6-methylsulfanylpyridazine is CCc1nnc(SC)c(C)c1C.
What is the InChIKey of 3-ethyl-4,5-dimethyl-6-methylsulfanylpyridazine?
The InChIKey is MGDPMWNOALFBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-5-8-6(2)7(3)9(12-4)11-10-8/h5H2,1-4H3.
What are the key properties of 3-ethyl-4,5-dimethyl-6-methylsulfanylpyridazine?
3-ethyl-4,5-dimethyl-6-methylsulfanylpyridazine has a molecular weight of 182.29 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4,5-dimethyl-6-methylsulfanylpyridazine is sourced from PubChem (CID 163770690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).