4-bromo-5-(2-cyclopropylpropylamino)-2-(2-methoxyethyl)pyridazin-3-one

C13H20BrN3O2 — CID 114442181

IUPAC4-bromo-5-(2-cyclopropylpropylamino)-2-(2-methoxyethyl)pyridazin-3-one
SMILESCOCCn1ncc(NCC(C)C2CC2)c(Br)c1=O
InChIInChI=1S/C13H20BrN3O2/c1-9(10-3-4-10)7-15-11-8-16-17(5-6-19-2)13(18)12(11)14/h8-10,15H,3-7H2,1-2H3
InChIKeyWMUBLLVNPHYKRF-UHFFFAOYSA-N
MW330.23 g/mol
LogP2.11
Rot. Bonds7

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

4-bromo-5-(2-cyclopropylpropylamino)-2-(2-methoxyethyl)pyridazin-3-one (PubChem CID 114442181) has the molecular formula C13H20BrN3O2 and a molecular weight of 330.23 g/mol. Its IUPAC name is 4-bromo-5-(2-cyclopropylpropylamino)-2-(2-methoxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-(2-cyclopropylpropylamino)-2-(2-methoxyethyl)pyridazin-3-one
PubChem CID114442181
Molecular FormulaC13H20BrN3O2
Molecular Weight330.23 g/mol
Exact Mass329.07
IUPAC Name4-bromo-5-(2-cyclopropylpropylamino)-2-(2-methoxyethyl)pyridazin-3-one
SMILESCOCCn1ncc(NCC(C)C2CC2)c(Br)c1=O
InChIInChI=1S/C13H20BrN3O2/c1-9(10-3-4-10)7-15-11-8-16-17(5-6-19-2)13(18)12(11)14/h8-10,15H,3-7H2,1-2H3
InChIKeyWMUBLLVNPHYKRF-UHFFFAOYSA-N
XLogP2.11
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-2-(2-methoxyethyl)-5-[(3-methyl-2-propan-2-ylbutyl)amino]pyridazin-3-one
CID 102913926
4-bromo-2-(2-methoxyethyl)-5-(2-methylsulfinylpropylamino)pyridazin-3-one
CID 114442483
2-[[5-bromo-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]-N-(2-methylpropyl)acetamide
CID 114441419
methyl 2-[[5-bromo-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]acetate
CID 114432347
4-bromo-2-(2-methoxyethyl)-5-(oxan-4-ylamino)pyridazin-3-one
CID 114433735
4-bromo-2-(2-methoxyethyl)-5-(2-pyrrolidin-2-ylethylamino)pyridazin-3-one
CID 114794546
4-bromo-5-(but-3-yn-2-ylamino)-2-(2-methoxyethyl)pyridazin-3-one
CID 114443545
5-[(2-amino-2-cyclopropylethyl)amino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one
CID 114446681
4-bromo-5-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 114439982
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-2-(cyclopropylmethyl)-5-(2-methoxypropylamino)pyridazin-3-one
CID 102698914

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(2-cyclopropylpropylamino)-2-(2-methoxyethyl)pyridazin-3-one?
The IUPAC name of 4-bromo-5-(2-cyclopropylpropylamino)-2-(2-methoxyethyl)pyridazin-3-one (CID 114442181) is 4-bromo-5-(2-cyclopropylpropylamino)-2-(2-methoxyethyl)pyridazin-3-one.
What is the SMILES notation for 4-bromo-5-(2-cyclopropylpropylamino)-2-(2-methoxyethyl)pyridazin-3-one?
The canonical SMILES for 4-bromo-5-(2-cyclopropylpropylamino)-2-(2-methoxyethyl)pyridazin-3-one is COCCn1ncc(NCC(C)C2CC2)c(Br)c1=O.
What is the InChIKey of 4-bromo-5-(2-cyclopropylpropylamino)-2-(2-methoxyethyl)pyridazin-3-one?
The InChIKey is WMUBLLVNPHYKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O2/c1-9(10-3-4-10)7-15-11-8-16-17(5-6-19-2)13(18)12(11)14/h8-10,15H,3-7H2,1-2H3.
What are the key properties of 4-bromo-5-(2-cyclopropylpropylamino)-2-(2-methoxyethyl)pyridazin-3-one?
4-bromo-5-(2-cyclopropylpropylamino)-2-(2-methoxyethyl)pyridazin-3-one has a molecular weight of 330.23 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(2-cyclopropylpropylamino)-2-(2-methoxyethyl)pyridazin-3-one is sourced from PubChem (CID 114442181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).