5,6-diethyl-3-(4-ethylphenoxy)pyridazine-4-carbonitrile

C17H19N3O — CID 80506109

IUPAC5,6-diethyl-3-(4-ethylphenoxy)pyridazine-4-carbonitrile
SMILESCCc1ccc(Oc2nnc(CC)c(CC)c2C#N)cc1
InChIInChI=1S/C17H19N3O/c1-4-12-7-9-13(10-8-12)21-17-15(11-18)14(5-2)16(6-3)19-20-17/h7-10H,4-6H2,1-3H3
InChIKeyZLGVNNAHQFCDSB-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.83
Rot. Bonds5

About 5,6-diethyl-3-(4-ethylphenoxy)pyridazine-4-carbonitrile

5,6-diethyl-3-(4-ethylphenoxy)pyridazine-4-carbonitrile (PubChem CID 80506109) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 5,6-diethyl-3-(4-ethylphenoxy)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-(4-ethylphenoxy)pyridazine-4-carbonitrile
PubChem CID80506109
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name5,6-diethyl-3-(4-ethylphenoxy)pyridazine-4-carbonitrile
SMILESCCc1ccc(Oc2nnc(CC)c(CC)c2C#N)cc1
InChIInChI=1S/C17H19N3O/c1-4-12-7-9-13(10-8-12)21-17-15(11-18)14(5-2)16(6-3)19-20-17/h7-10H,4-6H2,1-3H3
InChIKeyZLGVNNAHQFCDSB-UHFFFAOYSA-N
XLogP3.83
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5,6-diethyl-3-(4-ethylphenoxy)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-(4-ethylphenoxy)pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-(4-ethylphenoxy)pyridazine-4-carbonitrile (CID 80506109) is 5,6-diethyl-3-(4-ethylphenoxy)pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-(4-ethylphenoxy)pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-(4-ethylphenoxy)pyridazine-4-carbonitrile is CCc1ccc(Oc2nnc(CC)c(CC)c2C#N)cc1.
What is the InChIKey of 5,6-diethyl-3-(4-ethylphenoxy)pyridazine-4-carbonitrile?
The InChIKey is ZLGVNNAHQFCDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-4-12-7-9-13(10-8-12)21-17-15(11-18)14(5-2)16(6-3)19-20-17/h7-10H,4-6H2,1-3H3.
What are the key properties of 5,6-diethyl-3-(4-ethylphenoxy)pyridazine-4-carbonitrile?
5,6-diethyl-3-(4-ethylphenoxy)pyridazine-4-carbonitrile has a molecular weight of 281.36 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-(4-ethylphenoxy)pyridazine-4-carbonitrile is sourced from PubChem (CID 80506109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).