6-[(2-ethylsulfinylcyclohexyl)amino]pyridazine-3-carbonitrile

C13H18N4OS — CID 133419157

IUPAC6-[(2-ethylsulfinylcyclohexyl)amino]pyridazine-3-carbonitrile
SMILESCCS(=O)C1CCCCC1Nc1ccc(C#N)nn1
InChIInChI=1S/C13H18N4OS/c1-2-19(18)12-6-4-3-5-11(12)15-13-8-7-10(9-14)16-17-13/h7-8,11-12H,2-6H2,1H3,(H,15,17)
InChIKeyOONJIQRBLPDSFZ-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.84
Rot. Bonds4

About 6-[(2-ethylsulfinylcyclohexyl)amino]pyridazine-3-carbonitrile

6-[(2-ethylsulfinylcyclohexyl)amino]pyridazine-3-carbonitrile (PubChem CID 133419157) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 6-[(2-ethylsulfinylcyclohexyl)amino]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[(2-ethylsulfinylcyclohexyl)amino]pyridazine-3-carbonitrile
PubChem CID133419157
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name6-[(2-ethylsulfinylcyclohexyl)amino]pyridazine-3-carbonitrile
SMILESCCS(=O)C1CCCCC1Nc1ccc(C#N)nn1
InChIInChI=1S/C13H18N4OS/c1-2-19(18)12-6-4-3-5-11(12)15-13-8-7-10(9-14)16-17-13/h7-8,11-12H,2-6H2,1H3,(H,15,17)
InChIKeyOONJIQRBLPDSFZ-UHFFFAOYSA-N
XLogP1.84
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-ethylsulfinylcyclohexyl)amino]pyridazine-3-carbonitrile?
The IUPAC name of 6-[(2-ethylsulfinylcyclohexyl)amino]pyridazine-3-carbonitrile (CID 133419157) is 6-[(2-ethylsulfinylcyclohexyl)amino]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[(2-ethylsulfinylcyclohexyl)amino]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[(2-ethylsulfinylcyclohexyl)amino]pyridazine-3-carbonitrile is CCS(=O)C1CCCCC1Nc1ccc(C#N)nn1.
What is the InChIKey of 6-[(2-ethylsulfinylcyclohexyl)amino]pyridazine-3-carbonitrile?
The InChIKey is OONJIQRBLPDSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-2-19(18)12-6-4-3-5-11(12)15-13-8-7-10(9-14)16-17-13/h7-8,11-12H,2-6H2,1H3,(H,15,17).
What are the key properties of 6-[(2-ethylsulfinylcyclohexyl)amino]pyridazine-3-carbonitrile?
6-[(2-ethylsulfinylcyclohexyl)amino]pyridazine-3-carbonitrile has a molecular weight of 278.38 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-ethylsulfinylcyclohexyl)amino]pyridazine-3-carbonitrile is sourced from PubChem (CID 133419157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).