4-bromo-2-(2-methoxyethyl)-5-[2-(methylaminomethyl)morpholin-4-yl]pyridazin-3-one

C13H21BrN4O3 — CID 114446617

IUPAC4-bromo-2-(2-methoxyethyl)-5-[2-(methylaminomethyl)morpholin-4-yl]pyridazin-3-one
SMILESCNCC1CN(c2cnn(CCOC)c(=O)c2Br)CCO1
InChIInChI=1S/C13H21BrN4O3/c1-15-7-10-9-17(3-6-21-10)11-8-16-18(4-5-20-2)13(19)12(11)14/h8,10,15H,3-7,9H2,1-2H3
InChIKeyYFEFUHXOYXHCPL-UHFFFAOYSA-N
MW361.24 g/mol
LogP0.08
Rot. Bonds6

About 4-bromo-2-(2-methoxyethyl)-5-[2-(methylaminomethyl)morpholin-4-yl]pyridazin-3-one

4-bromo-2-(2-methoxyethyl)-5-[2-(methylaminomethyl)morpholin-4-yl]pyridazin-3-one (PubChem CID 114446617) has the molecular formula C13H21BrN4O3 and a molecular weight of 361.24 g/mol. Its IUPAC name is 4-bromo-2-(2-methoxyethyl)-5-[2-(methylaminomethyl)morpholin-4-yl]pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-(2-methoxyethyl)-5-[2-(methylaminomethyl)morpholin-4-yl]pyridazin-3-one
PubChem CID114446617
Molecular FormulaC13H21BrN4O3
Molecular Weight361.24 g/mol
Exact Mass360.08
IUPAC Name4-bromo-2-(2-methoxyethyl)-5-[2-(methylaminomethyl)morpholin-4-yl]pyridazin-3-one
SMILESCNCC1CN(c2cnn(CCOC)c(=O)c2Br)CCO1
InChIInChI=1S/C13H21BrN4O3/c1-15-7-10-9-17(3-6-21-10)11-8-16-18(4-5-20-2)13(19)12(11)14/h8,10,15H,3-7,9H2,1-2H3
InChIKeyYFEFUHXOYXHCPL-UHFFFAOYSA-N
XLogP0.08
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-bromo-2-(2-methoxyethyl)-5-[3-(methylaminomethyl)pyrrolidin-1-yl]pyridazin-3-one
CID 114444913
5-[2-(1-aminoethyl)morpholin-4-yl]-4-bromo-2-(2-methoxyethyl)pyridazin-3-one
CID 114446970
4-bromo-5-[2-(methylaminomethyl)morpholin-4-yl]-2-propan-2-ylpyridazin-3-one
CID 114446623
5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-4-bromo-2-(2-methoxyethyl)pyridazin-3-one
CID 114446142
5-(3-amino-4-methylpiperidin-1-yl)-4-bromo-2-(2-methoxyethyl)pyridazin-3-one
CID 114445372
4-chloro-5-[2-(methylaminomethyl)morpholin-4-yl]-2-(2-methylpropyl)pyridazin-3-one
CID 114446614
4-chloro-2-(2-methoxyethyl)-5-[3-(methylaminomethyl)pyrrolidin-1-yl]pyridazin-3-one
CID 114444903
4-bromo-2-(2-methoxyethyl)-5-(oxan-4-ylamino)pyridazin-3-one
CID 114433735
4-bromo-5-[(4-methylmorpholin-2-yl)methylamino]-2-propylpyridazin-3-one
CID 114439861
4-chloro-2-(2-methoxyethyl)-5-[2-(methylaminomethyl)pyrrolidin-1-yl]pyridazin-3-one
CID 114446982
5-[2-(aminomethyl)piperidin-1-yl]-4-bromo-2-(2-methoxyethyl)pyridazin-3-one
CID 114444385
3-[[5-bromo-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]-1-methylpyrrolidine-2,5-dione
CID 114439586

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2-methoxyethyl)-5-[2-(methylaminomethyl)morpholin-4-yl]pyridazin-3-one?
The IUPAC name of 4-bromo-2-(2-methoxyethyl)-5-[2-(methylaminomethyl)morpholin-4-yl]pyridazin-3-one (CID 114446617) is 4-bromo-2-(2-methoxyethyl)-5-[2-(methylaminomethyl)morpholin-4-yl]pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-(2-methoxyethyl)-5-[2-(methylaminomethyl)morpholin-4-yl]pyridazin-3-one?
The canonical SMILES for 4-bromo-2-(2-methoxyethyl)-5-[2-(methylaminomethyl)morpholin-4-yl]pyridazin-3-one is CNCC1CN(c2cnn(CCOC)c(=O)c2Br)CCO1.
What is the InChIKey of 4-bromo-2-(2-methoxyethyl)-5-[2-(methylaminomethyl)morpholin-4-yl]pyridazin-3-one?
The InChIKey is YFEFUHXOYXHCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN4O3/c1-15-7-10-9-17(3-6-21-10)11-8-16-18(4-5-20-2)13(19)12(11)14/h8,10,15H,3-7,9H2,1-2H3.
What are the key properties of 4-bromo-2-(2-methoxyethyl)-5-[2-(methylaminomethyl)morpholin-4-yl]pyridazin-3-one?
4-bromo-2-(2-methoxyethyl)-5-[2-(methylaminomethyl)morpholin-4-yl]pyridazin-3-one has a molecular weight of 361.24 g/mol, XLogP of 0.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2-methoxyethyl)-5-[2-(methylaminomethyl)morpholin-4-yl]pyridazin-3-one is sourced from PubChem (CID 114446617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).