5-[2-(1-aminoethyl)morpholin-4-yl]-4-bromo-2-(2-methoxyethyl)pyridazin-3-one

C13H21BrN4O3 — CID 114446970

IUPAC5-[2-(1-aminoethyl)morpholin-4-yl]-4-bromo-2-(2-methoxyethyl)pyridazin-3-one
SMILESCOCCn1ncc(N2CCOC(C(C)N)C2)c(Br)c1=O
InChIInChI=1S/C13H21BrN4O3/c1-9(15)11-8-17(3-6-21-11)10-7-16-18(4-5-20-2)13(19)12(10)14/h7,9,11H,3-6,8,15H2,1-2H3
InChIKeyZCAZEWBQOLCCOL-UHFFFAOYSA-N
MW361.24 g/mol
LogP0.20
Rot. Bonds5

About 5-[2-(1-aminoethyl)morpholin-4-yl]-4-bromo-2-(2-methoxyethyl)pyridazin-3-one

5-[2-(1-aminoethyl)morpholin-4-yl]-4-bromo-2-(2-methoxyethyl)pyridazin-3-one (PubChem CID 114446970) has the molecular formula C13H21BrN4O3 and a molecular weight of 361.24 g/mol. Its IUPAC name is 5-[2-(1-aminoethyl)morpholin-4-yl]-4-bromo-2-(2-methoxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-[2-(1-aminoethyl)morpholin-4-yl]-4-bromo-2-(2-methoxyethyl)pyridazin-3-one
PubChem CID114446970
Molecular FormulaC13H21BrN4O3
Molecular Weight361.24 g/mol
Exact Mass360.08
IUPAC Name5-[2-(1-aminoethyl)morpholin-4-yl]-4-bromo-2-(2-methoxyethyl)pyridazin-3-one
SMILESCOCCn1ncc(N2CCOC(C(C)N)C2)c(Br)c1=O
InChIInChI=1S/C13H21BrN4O3/c1-9(15)11-8-17(3-6-21-11)10-7-16-18(4-5-20-2)13(19)12(10)14/h7,9,11H,3-6,8,15H2,1-2H3
InChIKeyZCAZEWBQOLCCOL-UHFFFAOYSA-N
XLogP0.20
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-bromo-2-(2-methoxyethyl)-5-[2-(methylaminomethyl)morpholin-4-yl]pyridazin-3-one
CID 114446617
5-(3-amino-4-methylpiperidin-1-yl)-4-bromo-2-(2-methoxyethyl)pyridazin-3-one
CID 114445372
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
4-bromo-2-(2-methoxyethyl)-5-[3-(methylaminomethyl)pyrrolidin-1-yl]pyridazin-3-one
CID 114444913
5-[2-(aminomethyl)piperidin-1-yl]-4-bromo-2-(2-methoxyethyl)pyridazin-3-one
CID 114444385
5-[3-(1-aminoethyl)piperidin-1-yl]-4-bromo-2-propylpyridazin-3-one
CID 114443644
methyl 2-[4-[3-(1-aminoethyl)pyrrolidin-1-yl]-5-bromo-6-oxopyridazin-1-yl]acetate
CID 114447156
5-[3-(1-aminoethyl)piperidin-1-yl]-4-bromo-2-ethylpyridazin-3-one
CID 114443647
4-bromo-5-[2-(methylaminomethyl)morpholin-4-yl]-2-propan-2-ylpyridazin-3-one
CID 114446623
1-[4-[4-ethyl-1-(3-methoxypropyl)imidazol-2-yl]morpholin-2-yl]ethanamine
CID 106553322
4-bromo-2-(2-methoxyethyl)-5-(oxan-4-ylamino)pyridazin-3-one
CID 114433735
5-(4-amino-3-ethylpiperidin-1-yl)-4-bromo-2-propylpyridazin-3-one
CID 114446601

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-aminoethyl)morpholin-4-yl]-4-bromo-2-(2-methoxyethyl)pyridazin-3-one?
The IUPAC name of 5-[2-(1-aminoethyl)morpholin-4-yl]-4-bromo-2-(2-methoxyethyl)pyridazin-3-one (CID 114446970) is 5-[2-(1-aminoethyl)morpholin-4-yl]-4-bromo-2-(2-methoxyethyl)pyridazin-3-one.
What is the SMILES notation for 5-[2-(1-aminoethyl)morpholin-4-yl]-4-bromo-2-(2-methoxyethyl)pyridazin-3-one?
The canonical SMILES for 5-[2-(1-aminoethyl)morpholin-4-yl]-4-bromo-2-(2-methoxyethyl)pyridazin-3-one is COCCn1ncc(N2CCOC(C(C)N)C2)c(Br)c1=O.
What is the InChIKey of 5-[2-(1-aminoethyl)morpholin-4-yl]-4-bromo-2-(2-methoxyethyl)pyridazin-3-one?
The InChIKey is ZCAZEWBQOLCCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN4O3/c1-9(15)11-8-17(3-6-21-11)10-7-16-18(4-5-20-2)13(19)12(10)14/h7,9,11H,3-6,8,15H2,1-2H3.
What are the key properties of 5-[2-(1-aminoethyl)morpholin-4-yl]-4-bromo-2-(2-methoxyethyl)pyridazin-3-one?
5-[2-(1-aminoethyl)morpholin-4-yl]-4-bromo-2-(2-methoxyethyl)pyridazin-3-one has a molecular weight of 361.24 g/mol, XLogP of 0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-aminoethyl)morpholin-4-yl]-4-bromo-2-(2-methoxyethyl)pyridazin-3-one is sourced from PubChem (CID 114446970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).