4-bromo-2-ethyl-5-[(2-ethylphenyl)methylamino]pyridazin-3-one

C15H18BrN3O — CID 114439016

IUPAC4-bromo-2-ethyl-5-[(2-ethylphenyl)methylamino]pyridazin-3-one
SMILESCCc1ccccc1CNc1cnn(CC)c(=O)c1Br
InChIInChI=1S/C15H18BrN3O/c1-3-11-7-5-6-8-12(11)9-17-13-10-18-19(4-2)15(20)14(13)16/h5-8,10,17H,3-4,9H2,1-2H3
InChIKeyASEQVAPTQZNZRP-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.20
Rot. Bonds5

About 4-bromo-2-ethyl-5-[(2-ethylphenyl)methylamino]pyridazin-3-one

4-bromo-2-ethyl-5-[(2-ethylphenyl)methylamino]pyridazin-3-one (PubChem CID 114439016) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 4-bromo-2-ethyl-5-[(2-ethylphenyl)methylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-ethyl-5-[(2-ethylphenyl)methylamino]pyridazin-3-one
PubChem CID114439016
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name4-bromo-2-ethyl-5-[(2-ethylphenyl)methylamino]pyridazin-3-one
SMILESCCc1ccccc1CNc1cnn(CC)c(=O)c1Br
InChIInChI=1S/C15H18BrN3O/c1-3-11-7-5-6-8-12(11)9-17-13-10-18-19(4-2)15(20)14(13)16/h5-8,10,17H,3-4,9H2,1-2H3
InChIKeyASEQVAPTQZNZRP-UHFFFAOYSA-N
XLogP3.20
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-bromo-2-ethyl-5-[(2-ethylphenyl)methylamino]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

4-bromo-2-ethyl-5-[(5-ethylthiophen-2-yl)methylamino]pyridazin-3-one
CID 106013419
4-bromo-5-[(2-chlorophenyl)methylamino]-2-propylpyridazin-3-one
CID 114432195
4-bromo-2-ethyl-5-[(5-methylthiophen-2-yl)methylamino]pyridazin-3-one
CID 114436760
4-bromo-5-[(2-methylphenyl)methylamino]-2-prop-2-enylpyridazin-3-one
CID 114433954
4-bromo-5-[(2-fluorophenyl)methylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 114432502
4-bromo-2-(2-methoxyethyl)-5-[(2-methylphenyl)methylamino]pyridazin-3-one
CID 114433960
4-bromo-5-[(2-chlorophenyl)methylamino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 114432196
4-bromo-2-ethyl-5-(3-phenoxypropylamino)pyridazin-3-one
CID 114437016
4-bromo-5-[[2-(ethoxymethyl)phenyl]methylamino]-2-methylpyridazin-3-one
CID 115624032
4-bromo-2-ethyl-5-[2-(ethylamino)ethylamino]pyridazin-3-one
CID 114444572
4-bromo-2-ethyl-5-(2,2,3-trimethylbutylamino)pyridazin-3-one
CID 114100754
4-bromo-5-[[2-(dimethylamino)-2-methylpropyl]amino]-2-ethylpyridazin-3-one
CID 114436162

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethyl-5-[(2-ethylphenyl)methylamino]pyridazin-3-one?
The IUPAC name of 4-bromo-2-ethyl-5-[(2-ethylphenyl)methylamino]pyridazin-3-one (CID 114439016) is 4-bromo-2-ethyl-5-[(2-ethylphenyl)methylamino]pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-ethyl-5-[(2-ethylphenyl)methylamino]pyridazin-3-one?
The canonical SMILES for 4-bromo-2-ethyl-5-[(2-ethylphenyl)methylamino]pyridazin-3-one is CCc1ccccc1CNc1cnn(CC)c(=O)c1Br.
What is the InChIKey of 4-bromo-2-ethyl-5-[(2-ethylphenyl)methylamino]pyridazin-3-one?
The InChIKey is ASEQVAPTQZNZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-3-11-7-5-6-8-12(11)9-17-13-10-18-19(4-2)15(20)14(13)16/h5-8,10,17H,3-4,9H2,1-2H3.
What are the key properties of 4-bromo-2-ethyl-5-[(2-ethylphenyl)methylamino]pyridazin-3-one?
4-bromo-2-ethyl-5-[(2-ethylphenyl)methylamino]pyridazin-3-one has a molecular weight of 336.23 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-ethyl-5-[(2-ethylphenyl)methylamino]pyridazin-3-one is sourced from PubChem (CID 114439016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).