5,6-dimethyl-3-[(3-methylsulfanylcyclopentyl)amino]pyridazine-4-carbonitrile

C13H18N4S — CID 113244155

IUPAC5,6-dimethyl-3-[(3-methylsulfanylcyclopentyl)amino]pyridazine-4-carbonitrile
SMILESCSC1CCC(Nc2nnc(C)c(C)c2C#N)C1
InChIInChI=1S/C13H18N4S/c1-8-9(2)16-17-13(12(8)7-14)15-10-4-5-11(6-10)18-3/h10-11H,4-6H2,1-3H3,(H,15,17)
InChIKeyAZTJIKULIYDEPI-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.66
Rot. Bonds3

About 5,6-dimethyl-3-[(3-methylsulfanylcyclopentyl)amino]pyridazine-4-carbonitrile

5,6-dimethyl-3-[(3-methylsulfanylcyclopentyl)amino]pyridazine-4-carbonitrile (PubChem CID 113244155) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 5,6-dimethyl-3-[(3-methylsulfanylcyclopentyl)amino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-[(3-methylsulfanylcyclopentyl)amino]pyridazine-4-carbonitrile
PubChem CID113244155
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name5,6-dimethyl-3-[(3-methylsulfanylcyclopentyl)amino]pyridazine-4-carbonitrile
SMILESCSC1CCC(Nc2nnc(C)c(C)c2C#N)C1
InChIInChI=1S/C13H18N4S/c1-8-9(2)16-17-13(12(8)7-14)15-10-4-5-11(6-10)18-3/h10-11H,4-6H2,1-3H3,(H,15,17)
InChIKeyAZTJIKULIYDEPI-UHFFFAOYSA-N
XLogP2.66
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-cyano-5,6-dimethylpyridazin-3-yl)amino]cyclohexane-1-carboxamide
CID 78954556
5,6-dimethyl-3-[(1-oxothian-4-yl)amino]pyridazine-4-carbonitrile
CID 104576580
5,6-dimethyl-3-(piperidin-3-ylamino)pyridazine-4-carbonitrile
CID 78990540
4-methyl-N-(3-methylsulfanylcyclopentyl)phthalazin-1-amine
CID 103704104
3-(5-azaspiro[3.5]nonan-8-ylamino)-5,6-dimethylpyridazine-4-carbonitrile
CID 80515034
3-methyl-N-(3-methylsulfanylcyclopentyl)quinoxalin-2-amine
CID 103704143
3-[(4-hydroxy-4-phenylcyclohexyl)amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 122138853
5,6-dimethyl-3-[(2-methylcyclopropyl)methylamino]pyridazine-4-carbonitrile
CID 47280760
5,6-dimethyl-3-(prop-2-ynylamino)pyridazine-4-carbonitrile
CID 61096643
6-chloro-5-methyl-N-(3-methylsulfanylcyclopentyl)-2-propan-2-ylpyrimidin-4-amine
CID 114123821
6-[(3-methylsulfanylcyclopentyl)amino]pyridine-3-carbonitrile
CID 103704177
5,6-dimethyl-3-[(1-pyridazin-3-ylpiperidin-3-yl)amino]pyridazine-4-carbonitrile
CID 71933059

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[(3-methylsulfanylcyclopentyl)amino]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-[(3-methylsulfanylcyclopentyl)amino]pyridazine-4-carbonitrile (CID 113244155) is 5,6-dimethyl-3-[(3-methylsulfanylcyclopentyl)amino]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-[(3-methylsulfanylcyclopentyl)amino]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-[(3-methylsulfanylcyclopentyl)amino]pyridazine-4-carbonitrile is CSC1CCC(Nc2nnc(C)c(C)c2C#N)C1.
What is the InChIKey of 5,6-dimethyl-3-[(3-methylsulfanylcyclopentyl)amino]pyridazine-4-carbonitrile?
The InChIKey is AZTJIKULIYDEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-8-9(2)16-17-13(12(8)7-14)15-10-4-5-11(6-10)18-3/h10-11H,4-6H2,1-3H3,(H,15,17).
What are the key properties of 5,6-dimethyl-3-[(3-methylsulfanylcyclopentyl)amino]pyridazine-4-carbonitrile?
5,6-dimethyl-3-[(3-methylsulfanylcyclopentyl)amino]pyridazine-4-carbonitrile has a molecular weight of 262.38 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[(3-methylsulfanylcyclopentyl)amino]pyridazine-4-carbonitrile is sourced from PubChem (CID 113244155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).