4-bromo-2-(2-methoxyethyl)-5-(oxan-4-ylamino)pyridazin-3-one

C12H18BrN3O3 — CID 114433735

IUPAC4-bromo-2-(2-methoxyethyl)-5-(oxan-4-ylamino)pyridazin-3-one
SMILESCOCCn1ncc(NC2CCOCC2)c(Br)c1=O
InChIInChI=1S/C12H18BrN3O3/c1-18-7-4-16-12(17)11(13)10(8-14-16)15-9-2-5-19-6-3-9/h8-9,15H,2-7H2,1H3
InChIKeyDIZYYZPGAMYODB-UHFFFAOYSA-N
MW332.20 g/mol
LogP1.24
Rot. Bonds5

About 4-bromo-2-(2-methoxyethyl)-5-(oxan-4-ylamino)pyridazin-3-one

4-bromo-2-(2-methoxyethyl)-5-(oxan-4-ylamino)pyridazin-3-one (PubChem CID 114433735) has the molecular formula C12H18BrN3O3 and a molecular weight of 332.20 g/mol. Its IUPAC name is 4-bromo-2-(2-methoxyethyl)-5-(oxan-4-ylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-(2-methoxyethyl)-5-(oxan-4-ylamino)pyridazin-3-one
PubChem CID114433735
Molecular FormulaC12H18BrN3O3
Molecular Weight332.20 g/mol
Exact Mass331.05
IUPAC Name4-bromo-2-(2-methoxyethyl)-5-(oxan-4-ylamino)pyridazin-3-one
SMILESCOCCn1ncc(NC2CCOCC2)c(Br)c1=O
InChIInChI=1S/C12H18BrN3O3/c1-18-7-4-16-12(17)11(13)10(8-14-16)15-9-2-5-19-6-3-9/h8-9,15H,2-7H2,1H3
InChIKeyDIZYYZPGAMYODB-UHFFFAOYSA-N
XLogP1.24
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-5-[(3,4-dimethylcyclohexyl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 114439049
4-bromo-2-(2-methoxyethyl)-5-[(5-oxopyrrolidin-3-yl)amino]pyridazin-3-one
CID 106191911
3-[[5-bromo-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]-1-methylpyrrolidine-2,5-dione
CID 114439586
4-bromo-2-butyl-5-(oxolan-3-ylamino)pyridazin-3-one
CID 114440486
4-bromo-5-[(2,4-dimethylcyclohexyl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 114438394
4-bromo-5-(oxan-4-ylamino)-2-propan-2-ylpyridazin-3-one
CID 114433742
4-bromo-5-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-2-(2-methoxyethyl)pyridazin-3-one
CID 114436041
4-bromo-5-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 106300263
4-bromo-5-[(1,3-dimethylpiperidin-4-yl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 114504770
4-bromo-5-[(2,2-dimethylcyclohexyl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 114440168
4-bromo-5-(cyclooctylamino)-2-propylpyridazin-3-one
CID 114432224
4-bromo-5-(2-cyclopropylpropylamino)-2-(2-methoxyethyl)pyridazin-3-one
CID 114442181

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2-methoxyethyl)-5-(oxan-4-ylamino)pyridazin-3-one?
The IUPAC name of 4-bromo-2-(2-methoxyethyl)-5-(oxan-4-ylamino)pyridazin-3-one (CID 114433735) is 4-bromo-2-(2-methoxyethyl)-5-(oxan-4-ylamino)pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-(2-methoxyethyl)-5-(oxan-4-ylamino)pyridazin-3-one?
The canonical SMILES for 4-bromo-2-(2-methoxyethyl)-5-(oxan-4-ylamino)pyridazin-3-one is COCCn1ncc(NC2CCOCC2)c(Br)c1=O.
What is the InChIKey of 4-bromo-2-(2-methoxyethyl)-5-(oxan-4-ylamino)pyridazin-3-one?
The InChIKey is DIZYYZPGAMYODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O3/c1-18-7-4-16-12(17)11(13)10(8-14-16)15-9-2-5-19-6-3-9/h8-9,15H,2-7H2,1H3.
What are the key properties of 4-bromo-2-(2-methoxyethyl)-5-(oxan-4-ylamino)pyridazin-3-one?
4-bromo-2-(2-methoxyethyl)-5-(oxan-4-ylamino)pyridazin-3-one has a molecular weight of 332.20 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2-methoxyethyl)-5-(oxan-4-ylamino)pyridazin-3-one is sourced from PubChem (CID 114433735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).