3-(3-ethoxypiperidin-1-yl)pyridazine-4-carbonitrile

C12H16N4O — CID 80510417

IUPAC3-(3-ethoxypiperidin-1-yl)pyridazine-4-carbonitrile
SMILESCCOC1CCCN(c2nnccc2C#N)C1
InChIInChI=1S/C12H16N4O/c1-2-17-11-4-3-7-16(9-11)12-10(8-13)5-6-14-15-12/h5-6,11H,2-4,7,9H2,1H3
InChIKeyJCAYFEANRJFBEB-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.35
Rot. Bonds3

About 3-(3-ethoxypiperidin-1-yl)pyridazine-4-carbonitrile

3-(3-ethoxypiperidin-1-yl)pyridazine-4-carbonitrile (PubChem CID 80510417) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 3-(3-ethoxypiperidin-1-yl)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(3-ethoxypiperidin-1-yl)pyridazine-4-carbonitrile
PubChem CID80510417
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name3-(3-ethoxypiperidin-1-yl)pyridazine-4-carbonitrile
SMILESCCOC1CCCN(c2nnccc2C#N)C1
InChIInChI=1S/C12H16N4O/c1-2-17-11-4-3-7-16(9-11)12-10(8-13)5-6-14-15-12/h5-6,11H,2-4,7,9H2,1H3
InChIKeyJCAYFEANRJFBEB-UHFFFAOYSA-N
XLogP1.35
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxypiperidin-1-yl)pyridazine-4-carbonitrile?
The IUPAC name of 3-(3-ethoxypiperidin-1-yl)pyridazine-4-carbonitrile (CID 80510417) is 3-(3-ethoxypiperidin-1-yl)pyridazine-4-carbonitrile.
What is the SMILES notation for 3-(3-ethoxypiperidin-1-yl)pyridazine-4-carbonitrile?
The canonical SMILES for 3-(3-ethoxypiperidin-1-yl)pyridazine-4-carbonitrile is CCOC1CCCN(c2nnccc2C#N)C1.
What is the InChIKey of 3-(3-ethoxypiperidin-1-yl)pyridazine-4-carbonitrile?
The InChIKey is JCAYFEANRJFBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-2-17-11-4-3-7-16(9-11)12-10(8-13)5-6-14-15-12/h5-6,11H,2-4,7,9H2,1H3.
What are the key properties of 3-(3-ethoxypiperidin-1-yl)pyridazine-4-carbonitrile?
3-(3-ethoxypiperidin-1-yl)pyridazine-4-carbonitrile has a molecular weight of 232.29 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxypiperidin-1-yl)pyridazine-4-carbonitrile is sourced from PubChem (CID 80510417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).