5,6-diethyl-3-(2-ethylsulfinylethylamino)pyridazine-4-carbonitrile

C13H20N4OS — CID 115693824

IUPAC5,6-diethyl-3-(2-ethylsulfinylethylamino)pyridazine-4-carbonitrile
SMILESCCc1nnc(NCCS(=O)CC)c(C#N)c1CC
InChIInChI=1S/C13H20N4OS/c1-4-10-11(9-14)13(17-16-12(10)5-2)15-7-8-19(18)6-3/h4-8H2,1-3H3,(H,15,17)
InChIKeyBLKWIOXJSHYRPU-UHFFFAOYSA-N
MW280.40 g/mol
LogP1.65
Rot. Bonds7

About 5,6-diethyl-3-(2-ethylsulfinylethylamino)pyridazine-4-carbonitrile

5,6-diethyl-3-(2-ethylsulfinylethylamino)pyridazine-4-carbonitrile (PubChem CID 115693824) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is 5,6-diethyl-3-(2-ethylsulfinylethylamino)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-(2-ethylsulfinylethylamino)pyridazine-4-carbonitrile
PubChem CID115693824
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name5,6-diethyl-3-(2-ethylsulfinylethylamino)pyridazine-4-carbonitrile
SMILESCCc1nnc(NCCS(=O)CC)c(C#N)c1CC
InChIInChI=1S/C13H20N4OS/c1-4-10-11(9-14)13(17-16-12(10)5-2)15-7-8-19(18)6-3/h4-8H2,1-3H3,(H,15,17)
InChIKeyBLKWIOXJSHYRPU-UHFFFAOYSA-N
XLogP1.65
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-diethyl-3-(2-methylsulfanylethylamino)pyridazine-4-carbonitrile
CID 80509565
2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]ethylurea
CID 80527134
5,6-diethyl-3-(2-pyrrolidin-1-ylethylamino)pyridazine-4-carbonitrile
CID 80509789
5-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]pentanamide
CID 106236890
4-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]butanoic acid
CID 80508019
5,6-diethyl-3-(prop-2-ynylamino)pyridazine-4-carbonitrile
CID 80509398
3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-N,N-dimethylpropanamide
CID 80510567
5,6-diethyl-3-(5-methylhexylamino)pyridazine-4-carbonitrile
CID 115325591
5,6-diethyl-3-(3-methylsulfanylbutylamino)pyridazine-4-carbonitrile
CID 115693754
3-(2-cyclohexylethylamino)-5,6-diethylpyridazine-4-carbonitrile
CID 80504469
tert-butyl N-[2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]ethyl]carbamate
CID 103756562
methyl 2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]acetate
CID 80509437

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-(2-ethylsulfinylethylamino)pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-(2-ethylsulfinylethylamino)pyridazine-4-carbonitrile (CID 115693824) is 5,6-diethyl-3-(2-ethylsulfinylethylamino)pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-(2-ethylsulfinylethylamino)pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-(2-ethylsulfinylethylamino)pyridazine-4-carbonitrile is CCc1nnc(NCCS(=O)CC)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-(2-ethylsulfinylethylamino)pyridazine-4-carbonitrile?
The InChIKey is BLKWIOXJSHYRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-4-10-11(9-14)13(17-16-12(10)5-2)15-7-8-19(18)6-3/h4-8H2,1-3H3,(H,15,17).
What are the key properties of 5,6-diethyl-3-(2-ethylsulfinylethylamino)pyridazine-4-carbonitrile?
5,6-diethyl-3-(2-ethylsulfinylethylamino)pyridazine-4-carbonitrile has a molecular weight of 280.40 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-(2-ethylsulfinylethylamino)pyridazine-4-carbonitrile is sourced from PubChem (CID 115693824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).