5,6-dimethyl-3-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridazine-4-carbonitrile

C13H20N4S — CID 112659522

IUPAC5,6-dimethyl-3-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridazine-4-carbonitrile
SMILESCCC(CSC)N(C)c1nnc(C)c(C)c1C#N
InChIInChI=1S/C13H20N4S/c1-6-11(8-18-5)17(4)13-12(7-14)9(2)10(3)15-16-13/h11H,6,8H2,1-5H3
InChIKeyLKUODTPRYTZZMB-UHFFFAOYSA-N
MW264.40 g/mol
LogP2.54
Rot. Bonds5

About 5,6-dimethyl-3-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridazine-4-carbonitrile

5,6-dimethyl-3-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridazine-4-carbonitrile (PubChem CID 112659522) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is 5,6-dimethyl-3-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridazine-4-carbonitrile
PubChem CID112659522
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC Name5,6-dimethyl-3-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridazine-4-carbonitrile
SMILESCCC(CSC)N(C)c1nnc(C)c(C)c1C#N
InChIInChI=1S/C13H20N4S/c1-6-11(8-18-5)17(4)13-12(7-14)9(2)10(3)15-16-13/h11H,6,8H2,1-5H3
InChIKeyLKUODTPRYTZZMB-UHFFFAOYSA-N
XLogP2.54
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridazine-4-carbonitrile (CID 112659522) is 5,6-dimethyl-3-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridazine-4-carbonitrile is CCC(CSC)N(C)c1nnc(C)c(C)c1C#N.
What is the InChIKey of 5,6-dimethyl-3-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridazine-4-carbonitrile?
The InChIKey is LKUODTPRYTZZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-6-11(8-18-5)17(4)13-12(7-14)9(2)10(3)15-16-13/h11H,6,8H2,1-5H3.
What are the key properties of 5,6-dimethyl-3-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridazine-4-carbonitrile?
5,6-dimethyl-3-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridazine-4-carbonitrile has a molecular weight of 264.40 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridazine-4-carbonitrile is sourced from PubChem (CID 112659522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).