5,6-diethyl-3-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridazine-4-carbonitrile

C16H24N4O — CID 80505942

IUPAC5,6-diethyl-3-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridazine-4-carbonitrile
SMILESCCc1nnc(OCCC2CCCN2C)c(C#N)c1CC
InChIInChI=1S/C16H24N4O/c1-4-13-14(11-17)16(19-18-15(13)5-2)21-10-8-12-7-6-9-20(12)3/h12H,4-10H2,1-3H3
InChIKeyVHYWIWNQHDBNCA-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.34
Rot. Bonds6

About 5,6-diethyl-3-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridazine-4-carbonitrile

5,6-diethyl-3-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridazine-4-carbonitrile (PubChem CID 80505942) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 5,6-diethyl-3-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridazine-4-carbonitrile
PubChem CID80505942
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name5,6-diethyl-3-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridazine-4-carbonitrile
SMILESCCc1nnc(OCCC2CCCN2C)c(C#N)c1CC
InChIInChI=1S/C16H24N4O/c1-4-13-14(11-17)16(19-18-15(13)5-2)21-10-8-12-7-6-9-20(12)3/h12H,4-10H2,1-3H3
InChIKeyVHYWIWNQHDBNCA-UHFFFAOYSA-N
XLogP2.34
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5,6-diethyl-3-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridazine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridazine-4-carbonitrile (CID 80505942) is 5,6-diethyl-3-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridazine-4-carbonitrile is CCc1nnc(OCCC2CCCN2C)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridazine-4-carbonitrile?
The InChIKey is VHYWIWNQHDBNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-4-13-14(11-17)16(19-18-15(13)5-2)21-10-8-12-7-6-9-20(12)3/h12H,4-10H2,1-3H3.
What are the key properties of 5,6-diethyl-3-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridazine-4-carbonitrile?
5,6-diethyl-3-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridazine-4-carbonitrile has a molecular weight of 288.39 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridazine-4-carbonitrile is sourced from PubChem (CID 80505942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).