4-bromo-2-(2-methoxyethyl)-5-[(2-methylphenyl)methylamino]pyridazin-3-one

C15H18BrN3O2 — CID 114433960

IUPAC4-bromo-2-(2-methoxyethyl)-5-[(2-methylphenyl)methylamino]pyridazin-3-one
SMILESCOCCn1ncc(NCc2ccccc2C)c(Br)c1=O
InChIInChI=1S/C15H18BrN3O2/c1-11-5-3-4-6-12(11)9-17-13-10-18-19(7-8-21-2)15(20)14(13)16/h3-6,10,17H,7-9H2,1-2H3
InChIKeyGQWPDILMHLSBDT-UHFFFAOYSA-N
MW352.23 g/mol
LogP2.57
Rot. Bonds6

About 4-bromo-2-(2-methoxyethyl)-5-[(2-methylphenyl)methylamino]pyridazin-3-one

4-bromo-2-(2-methoxyethyl)-5-[(2-methylphenyl)methylamino]pyridazin-3-one (PubChem CID 114433960) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is 4-bromo-2-(2-methoxyethyl)-5-[(2-methylphenyl)methylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-(2-methoxyethyl)-5-[(2-methylphenyl)methylamino]pyridazin-3-one
PubChem CID114433960
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Name4-bromo-2-(2-methoxyethyl)-5-[(2-methylphenyl)methylamino]pyridazin-3-one
SMILESCOCCn1ncc(NCc2ccccc2C)c(Br)c1=O
InChIInChI=1S/C15H18BrN3O2/c1-11-5-3-4-6-12(11)9-17-13-10-18-19(7-8-21-2)15(20)14(13)16/h3-6,10,17H,7-9H2,1-2H3
InChIKeyGQWPDILMHLSBDT-UHFFFAOYSA-N
XLogP2.57
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-bromo-2-(2-methoxyethyl)-5-[(2-methylphenyl)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-chloro-2-(2-methoxyethyl)-5-[(2-methylphenyl)methylamino]pyridazin-3-one
CID 115573801
4-bromo-2-(2-methoxyethyl)-5-[(4-methylthiophen-3-yl)methylamino]pyridazin-3-one
CID 114440270
4-bromo-5-[(2-methylphenyl)methylamino]-2-prop-2-enylpyridazin-3-one
CID 114433954
4-bromo-2-(2-methoxyethyl)-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridazin-3-one
CID 114435056
methyl 2-[[5-bromo-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]acetate
CID 114432347
4-bromo-5-[(2-chlorophenyl)methylamino]-2-propylpyridazin-3-one
CID 114432195
4-bromo-2-ethyl-5-[(2-ethylphenyl)methylamino]pyridazin-3-one
CID 114439016
4-bromo-5-[(2,2-difluoro-3-hydroxypropyl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 106177918
4-bromo-2-(2-methoxyethyl)-5-(pent-3-ynylamino)pyridazin-3-one
CID 114443473
4-bromo-5-[(2-chlorophenyl)methylamino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 114432196
4-bromo-2-butyl-5-[(3-methyl-4-pyridinyl)methylamino]pyridazin-3-one
CID 114700839
4-[[5-bromo-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]butanamide
CID 114433893

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2-methoxyethyl)-5-[(2-methylphenyl)methylamino]pyridazin-3-one?
The IUPAC name of 4-bromo-2-(2-methoxyethyl)-5-[(2-methylphenyl)methylamino]pyridazin-3-one (CID 114433960) is 4-bromo-2-(2-methoxyethyl)-5-[(2-methylphenyl)methylamino]pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-(2-methoxyethyl)-5-[(2-methylphenyl)methylamino]pyridazin-3-one?
The canonical SMILES for 4-bromo-2-(2-methoxyethyl)-5-[(2-methylphenyl)methylamino]pyridazin-3-one is COCCn1ncc(NCc2ccccc2C)c(Br)c1=O.
What is the InChIKey of 4-bromo-2-(2-methoxyethyl)-5-[(2-methylphenyl)methylamino]pyridazin-3-one?
The InChIKey is GQWPDILMHLSBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c1-11-5-3-4-6-12(11)9-17-13-10-18-19(7-8-21-2)15(20)14(13)16/h3-6,10,17H,7-9H2,1-2H3.
What are the key properties of 4-bromo-2-(2-methoxyethyl)-5-[(2-methylphenyl)methylamino]pyridazin-3-one?
4-bromo-2-(2-methoxyethyl)-5-[(2-methylphenyl)methylamino]pyridazin-3-one has a molecular weight of 352.23 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2-methoxyethyl)-5-[(2-methylphenyl)methylamino]pyridazin-3-one is sourced from PubChem (CID 114433960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).