5,6-diethyl-3-(3-methylsulfanylbutylamino)pyridazine-4-carbonitrile

C14H22N4S — CID 115693754

IUPAC5,6-diethyl-3-(3-methylsulfanylbutylamino)pyridazine-4-carbonitrile
SMILESCCc1nnc(NCCC(C)SC)c(C#N)c1CC
InChIInChI=1S/C14H22N4S/c1-5-11-12(9-15)14(18-17-13(11)6-2)16-8-7-10(3)19-4/h10H,5-8H2,1-4H3,(H,16,18)
InChIKeyGAPQOASOBPERJQ-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.03
Rot. Bonds7

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

5,6-diethyl-3-(3-methylsulfanylbutylamino)pyridazine-4-carbonitrile (PubChem CID 115693754) has the molecular formula C14H22N4S and a molecular weight of 278.42 g/mol. Its IUPAC name is 5,6-diethyl-3-(3-methylsulfanylbutylamino)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-(3-methylsulfanylbutylamino)pyridazine-4-carbonitrile
PubChem CID115693754
Molecular FormulaC14H22N4S
Molecular Weight278.42 g/mol
Exact Mass278.16
IUPAC Name5,6-diethyl-3-(3-methylsulfanylbutylamino)pyridazine-4-carbonitrile
SMILESCCc1nnc(NCCC(C)SC)c(C#N)c1CC
InChIInChI=1S/C14H22N4S/c1-5-11-12(9-15)14(18-17-13(11)6-2)16-8-7-10(3)19-4/h10H,5-8H2,1-4H3,(H,16,18)
InChIKeyGAPQOASOBPERJQ-UHFFFAOYSA-N
XLogP3.03
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.03
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
5,6-diethyl-3-(5-methylhexylamino)pyridazine-4-carbonitrile
CID 115325591
5,6-diethyl-3-(2-ethylsulfinylethylamino)pyridazine-4-carbonitrile
CID 115693824
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
2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]ethylurea
CID 80527134
3-(1-ethoxypropan-2-ylamino)-5,6-diethylpyridazine-4-carbonitrile
CID 80510272
3-(butan-2-ylamino)-5,6-diethylpyridazine-4-carbonitrile
CID 80508707
5,6-diethyl-3-(2-pyrrolidin-1-ylethylamino)pyridazine-4-carbonitrile
CID 80509789
3-(2-cyclohexylethylamino)-5,6-diethylpyridazine-4-carbonitrile
CID 80504469
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

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-(3-methylsulfanylbutylamino)pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-(3-methylsulfanylbutylamino)pyridazine-4-carbonitrile (CID 115693754) is 5,6-diethyl-3-(3-methylsulfanylbutylamino)pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-(3-methylsulfanylbutylamino)pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-(3-methylsulfanylbutylamino)pyridazine-4-carbonitrile is CCc1nnc(NCCC(C)SC)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-(3-methylsulfanylbutylamino)pyridazine-4-carbonitrile?
The InChIKey is GAPQOASOBPERJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-5-11-12(9-15)14(18-17-13(11)6-2)16-8-7-10(3)19-4/h10H,5-8H2,1-4H3,(H,16,18).
What are the key properties of 5,6-diethyl-3-(3-methylsulfanylbutylamino)pyridazine-4-carbonitrile?
5,6-diethyl-3-(3-methylsulfanylbutylamino)pyridazine-4-carbonitrile has a molecular weight of 278.42 g/mol, XLogP of 3.03, 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-(3-methylsulfanylbutylamino)pyridazine-4-carbonitrile is sourced from PubChem (CID 115693754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).