3-(2-amino-4-ethylphenoxy)pyridazine-4-carbonitrile

C13H12N4O — CID 80514825

IUPAC3-(2-amino-4-ethylphenoxy)pyridazine-4-carbonitrile
SMILESCCc1ccc(Oc2nnccc2C#N)c(N)c1
InChIInChI=1S/C13H12N4O/c1-2-9-3-4-12(11(15)7-9)18-13-10(8-14)5-6-16-17-13/h3-7H,2,15H2,1H3
InChIKeyZIIRPGDQAVIDBS-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.29
Rot. Bonds3

About 3-(2-amino-4-ethylphenoxy)pyridazine-4-carbonitrile

3-(2-amino-4-ethylphenoxy)pyridazine-4-carbonitrile (PubChem CID 80514825) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 3-(2-amino-4-ethylphenoxy)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(2-amino-4-ethylphenoxy)pyridazine-4-carbonitrile
PubChem CID80514825
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name3-(2-amino-4-ethylphenoxy)pyridazine-4-carbonitrile
SMILESCCc1ccc(Oc2nnccc2C#N)c(N)c1
InChIInChI=1S/C13H12N4O/c1-2-9-3-4-12(11(15)7-9)18-13-10(8-14)5-6-16-17-13/h3-7H,2,15H2,1H3
InChIKeyZIIRPGDQAVIDBS-UHFFFAOYSA-N
XLogP2.29
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-(2-amino-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

Related Compounds

3-(4-ethyl-2-nitrophenoxy)pyridazine-4-carbonitrile
CID 80510784
3-(2-amino-5-methylphenoxy)pyridazine-4-carbonitrile
CID 80514539
3-(2-amino-5-methoxyphenoxy)pyridazine-4-carbonitrile
CID 102702927
3-(4-amino-3-methylphenoxy)pyridazine-4-carbonitrile
CID 80514822
3-[4-amino-2-(trifluoromethyl)phenoxy]pyridazine-4-carbonitrile
CID 80514722
3-(2,4-dichlorophenoxy)pyridazine-4-carbonitrile
CID 80510174
3-(2,5-dichlorophenoxy)pyridazine-4-carbonitrile
CID 80510171
3-(2-chlorophenoxy)pyridazine-4-carbonitrile
CID 80510196
5-ethyl-2-trimethylsilyloxyaniline
CID 167734145
5-ethyl-2-[(3-methylsulfonyl-2-pyridinyl)oxy]aniline
CID 114599147
5-ethyl-2-(1-methylimidazo[4,5-c]pyridin-4-yl)oxyaniline
CID 103385898
3-(5-methyl-2-propan-2-ylphenoxy)pyridazine-4-carbonitrile
CID 80510004

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-ethylphenoxy)pyridazine-4-carbonitrile?
The IUPAC name of 3-(2-amino-4-ethylphenoxy)pyridazine-4-carbonitrile (CID 80514825) is 3-(2-amino-4-ethylphenoxy)pyridazine-4-carbonitrile.
What is the SMILES notation for 3-(2-amino-4-ethylphenoxy)pyridazine-4-carbonitrile?
The canonical SMILES for 3-(2-amino-4-ethylphenoxy)pyridazine-4-carbonitrile is CCc1ccc(Oc2nnccc2C#N)c(N)c1.
What is the InChIKey of 3-(2-amino-4-ethylphenoxy)pyridazine-4-carbonitrile?
The InChIKey is ZIIRPGDQAVIDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-2-9-3-4-12(11(15)7-9)18-13-10(8-14)5-6-16-17-13/h3-7H,2,15H2,1H3.
What are the key properties of 3-(2-amino-4-ethylphenoxy)pyridazine-4-carbonitrile?
3-(2-amino-4-ethylphenoxy)pyridazine-4-carbonitrile has a molecular weight of 240.27 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-ethylphenoxy)pyridazine-4-carbonitrile is sourced from PubChem (CID 80514825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).