5,6-diethyl-3-(3-hydroxy-3-methylpiperidin-1-yl)pyridazine-4-carbonitrile

C15H22N4O — CID 115871295

IUPAC5,6-diethyl-3-(3-hydroxy-3-methylpiperidin-1-yl)pyridazine-4-carbonitrile
SMILESCCc1nnc(N2CCCC(C)(O)C2)c(C#N)c1CC
InChIInChI=1S/C15H22N4O/c1-4-11-12(9-16)14(18-17-13(11)5-2)19-8-6-7-15(3,20)10-19/h20H,4-8,10H2,1-3H3
InChIKeyDAYMTQCJOBTFRI-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.82
Rot. Bonds3

About 5,6-diethyl-3-(3-hydroxy-3-methylpiperidin-1-yl)pyridazine-4-carbonitrile

5,6-diethyl-3-(3-hydroxy-3-methylpiperidin-1-yl)pyridazine-4-carbonitrile (PubChem CID 115871295) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 5,6-diethyl-3-(3-hydroxy-3-methylpiperidin-1-yl)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-(3-hydroxy-3-methylpiperidin-1-yl)pyridazine-4-carbonitrile
PubChem CID115871295
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name5,6-diethyl-3-(3-hydroxy-3-methylpiperidin-1-yl)pyridazine-4-carbonitrile
SMILESCCc1nnc(N2CCCC(C)(O)C2)c(C#N)c1CC
InChIInChI=1S/C15H22N4O/c1-4-11-12(9-16)14(18-17-13(11)5-2)19-8-6-7-15(3,20)10-19/h20H,4-8,10H2,1-3H3
InChIKeyDAYMTQCJOBTFRI-UHFFFAOYSA-N
XLogP1.82
TPSA73.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-(3-hydroxy-3-methylpiperidin-1-yl)pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-(3-hydroxy-3-methylpiperidin-1-yl)pyridazine-4-carbonitrile (CID 115871295) is 5,6-diethyl-3-(3-hydroxy-3-methylpiperidin-1-yl)pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-(3-hydroxy-3-methylpiperidin-1-yl)pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-(3-hydroxy-3-methylpiperidin-1-yl)pyridazine-4-carbonitrile is CCc1nnc(N2CCCC(C)(O)C2)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-(3-hydroxy-3-methylpiperidin-1-yl)pyridazine-4-carbonitrile?
The InChIKey is DAYMTQCJOBTFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-4-11-12(9-16)14(18-17-13(11)5-2)19-8-6-7-15(3,20)10-19/h20H,4-8,10H2,1-3H3.
What are the key properties of 5,6-diethyl-3-(3-hydroxy-3-methylpiperidin-1-yl)pyridazine-4-carbonitrile?
5,6-diethyl-3-(3-hydroxy-3-methylpiperidin-1-yl)pyridazine-4-carbonitrile has a molecular weight of 274.37 g/mol, XLogP of 1.82, 3 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-hydroxy-3-methylpiperidin-1-yl)pyridazine-4-carbonitrile is sourced from PubChem (CID 115871295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).