5,6-diethyl-3-oxo-2-(2-pyridin-2-ylethyl)pyridazine-4-carbonitrile

C16H18N4O — CID 126825993

IUPAC5,6-diethyl-3-oxo-2-(2-pyridin-2-ylethyl)pyridazine-4-carbonitrile
SMILESCCc1nn(CCc2ccccn2)c(=O)c(C#N)c1CC
InChIInChI=1S/C16H18N4O/c1-3-13-14(11-17)16(21)20(19-15(13)4-2)10-8-12-7-5-6-9-18-12/h5-7,9H,3-4,8,10H2,1-2H3
InChIKeyUYYGKEAWQFCEMO-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.88
Rot. Bonds5

About 5,6-diethyl-3-oxo-2-(2-pyridin-2-ylethyl)pyridazine-4-carbonitrile

5,6-diethyl-3-oxo-2-(2-pyridin-2-ylethyl)pyridazine-4-carbonitrile (PubChem CID 126825993) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 5,6-diethyl-3-oxo-2-(2-pyridin-2-ylethyl)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-oxo-2-(2-pyridin-2-ylethyl)pyridazine-4-carbonitrile
PubChem CID126825993
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name5,6-diethyl-3-oxo-2-(2-pyridin-2-ylethyl)pyridazine-4-carbonitrile
SMILESCCc1nn(CCc2ccccn2)c(=O)c(C#N)c1CC
InChIInChI=1S/C16H18N4O/c1-3-13-14(11-17)16(21)20(19-15(13)4-2)10-8-12-7-5-6-9-18-12/h5-7,9H,3-4,8,10H2,1-2H3
InChIKeyUYYGKEAWQFCEMO-UHFFFAOYSA-N
XLogP1.88
TPSA71.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-oxo-2-(2-pyridin-2-ylethyl)pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-oxo-2-(2-pyridin-2-ylethyl)pyridazine-4-carbonitrile (CID 126825993) is 5,6-diethyl-3-oxo-2-(2-pyridin-2-ylethyl)pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-oxo-2-(2-pyridin-2-ylethyl)pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-oxo-2-(2-pyridin-2-ylethyl)pyridazine-4-carbonitrile is CCc1nn(CCc2ccccn2)c(=O)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-oxo-2-(2-pyridin-2-ylethyl)pyridazine-4-carbonitrile?
The InChIKey is UYYGKEAWQFCEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-3-13-14(11-17)16(21)20(19-15(13)4-2)10-8-12-7-5-6-9-18-12/h5-7,9H,3-4,8,10H2,1-2H3.
What are the key properties of 5,6-diethyl-3-oxo-2-(2-pyridin-2-ylethyl)pyridazine-4-carbonitrile?
5,6-diethyl-3-oxo-2-(2-pyridin-2-ylethyl)pyridazine-4-carbonitrile has a molecular weight of 282.35 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-oxo-2-(2-pyridin-2-ylethyl)pyridazine-4-carbonitrile is sourced from PubChem (CID 126825993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).