4-amino-6-(2-ethoxyphenyl)-2-(2-methylpropyl)pyridazin-3-one

C16H21N3O2 — CID 82467618

IUPAC4-amino-6-(2-ethoxyphenyl)-2-(2-methylpropyl)pyridazin-3-one
SMILESCCOc1ccccc1-c1cc(N)c(=O)n(CC(C)C)n1
InChIInChI=1S/C16H21N3O2/c1-4-21-15-8-6-5-7-12(15)14-9-13(17)16(20)19(18-14)10-11(2)3/h5-9,11H,4,10,17H2,1-3H3
InChIKeyFOWYVHNHKLIRKU-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.55
Rot. Bonds5

About 4-amino-6-(2-ethoxyphenyl)-2-(2-methylpropyl)pyridazin-3-one

4-amino-6-(2-ethoxyphenyl)-2-(2-methylpropyl)pyridazin-3-one (PubChem CID 82467618) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-amino-6-(2-ethoxyphenyl)-2-(2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name4-amino-6-(2-ethoxyphenyl)-2-(2-methylpropyl)pyridazin-3-one
PubChem CID82467618
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-amino-6-(2-ethoxyphenyl)-2-(2-methylpropyl)pyridazin-3-one
SMILESCCOc1ccccc1-c1cc(N)c(=O)n(CC(C)C)n1
InChIInChI=1S/C16H21N3O2/c1-4-21-15-8-6-5-7-12(15)14-9-13(17)16(20)19(18-14)10-11(2)3/h5-9,11H,4,10,17H2,1-3H3
InChIKeyFOWYVHNHKLIRKU-UHFFFAOYSA-N
XLogP2.55
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-amino-6-(2-ethoxyphenyl)-2-(2-methylpropyl)pyridazin-3-one 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

6-(2-methoxyphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carbaldehyde
CID 82447378
4-amino-2-(2-methylpropyl)-6-thiophen-2-ylpyridazin-3-one
CID 82467637
2-[5-amino-3-(2-ethoxyphenyl)pyrazol-1-yl]ethanol
CID 43348917
6-(2-ethoxyphenyl)-2-ethyl-4-(2-hydroxypropan-2-yl)pyridazin-3-one
CID 82445000
2-[6-(2-ethoxyphenyl)-2-ethyl-3-oxopyridazin-4-yl]acetonitrile
CID 82444996
6-(2-ethoxyphenyl)-2-ethyl-3-oxopyridazine-4-carboxylic acid
CID 82444987
[3-(2-ethoxyphenyl)-1-ethylpyrazol-5-yl]methanamine
CID 84761609
4-amino-6-(4-methoxy-3-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one
CID 82467631
4-[5-(2-ethoxyphenyl)-1-(2-methylpropyl)pyrazol-3-yl]benzoic acid
CID 110160796
3-(2-ethoxyphenyl)-1-ethylpyrazole-5-carboxylic acid
CID 84761108
6-(2-ethoxyphenyl)-3-oxo-2-propylpyridazine-4-carboximidamide
CID 82446796
3-(2-methylphenyl)-1-(2-methylpropyl)pyrazol-5-amine
CID 43381407

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(2-ethoxyphenyl)-2-(2-methylpropyl)pyridazin-3-one?
The IUPAC name of 4-amino-6-(2-ethoxyphenyl)-2-(2-methylpropyl)pyridazin-3-one (CID 82467618) is 4-amino-6-(2-ethoxyphenyl)-2-(2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 4-amino-6-(2-ethoxyphenyl)-2-(2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 4-amino-6-(2-ethoxyphenyl)-2-(2-methylpropyl)pyridazin-3-one is CCOc1ccccc1-c1cc(N)c(=O)n(CC(C)C)n1.
What is the InChIKey of 4-amino-6-(2-ethoxyphenyl)-2-(2-methylpropyl)pyridazin-3-one?
The InChIKey is FOWYVHNHKLIRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-21-15-8-6-5-7-12(15)14-9-13(17)16(20)19(18-14)10-11(2)3/h5-9,11H,4,10,17H2,1-3H3.
What are the key properties of 4-amino-6-(2-ethoxyphenyl)-2-(2-methylpropyl)pyridazin-3-one?
4-amino-6-(2-ethoxyphenyl)-2-(2-methylpropyl)pyridazin-3-one has a molecular weight of 287.36 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(2-ethoxyphenyl)-2-(2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 82467618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).