2-[(5-bromo-1-ethyl-6-oxopyridazin-4-yl)amino]-N-ethylpropanamide

C11H17BrN4O2 — CID 114435614

IUPAC2-[(5-bromo-1-ethyl-6-oxopyridazin-4-yl)amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)Nc1cnn(CC)c(=O)c1Br
InChIInChI=1S/C11H17BrN4O2/c1-4-13-10(17)7(3)15-8-6-14-16(5-2)11(18)9(8)12/h6-7,15H,4-5H2,1-3H3,(H,13,17)
InChIKeyLFFHZBXRTZOJEY-UHFFFAOYSA-N
MW317.19 g/mol
LogP0.96
Rot. Bonds5

About 2-[(5-bromo-1-ethyl-6-oxopyridazin-4-yl)amino]-N-ethylpropanamide

2-[(5-bromo-1-ethyl-6-oxopyridazin-4-yl)amino]-N-ethylpropanamide (PubChem CID 114435614) has the molecular formula C11H17BrN4O2 and a molecular weight of 317.19 g/mol. Its IUPAC name is 2-[(5-bromo-1-ethyl-6-oxopyridazin-4-yl)amino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[(5-bromo-1-ethyl-6-oxopyridazin-4-yl)amino]-N-ethylpropanamide
PubChem CID114435614
Molecular FormulaC11H17BrN4O2
Molecular Weight317.19 g/mol
Exact Mass316.05
IUPAC Name2-[(5-bromo-1-ethyl-6-oxopyridazin-4-yl)amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)Nc1cnn(CC)c(=O)c1Br
InChIInChI=1S/C11H17BrN4O2/c1-4-13-10(17)7(3)15-8-6-14-16(5-2)11(18)9(8)12/h6-7,15H,4-5H2,1-3H3,(H,13,17)
InChIKeyLFFHZBXRTZOJEY-UHFFFAOYSA-N
XLogP0.96
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-bromo-1-(2-hydroxyethyl)-6-oxopyridazin-4-yl]amino]-N-(2-methoxyethyl)propanamide
CID 114441570
4-bromo-5-[1-(4-bromophenyl)ethylamino]-2-ethylpyridazin-3-one
CID 114435834
ethyl 2-[[5-bromo-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]propanoate
CID 114435725
methyl 2-[5-chloro-4-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-6-oxopyridazin-1-yl]acetate
CID 114435611
4-bromo-5-(dicyclopropylmethylamino)-2-ethylpyridazin-3-one
CID 114435700
4-bromo-2-ethyl-5-(2,2,3-trimethylbutylamino)pyridazin-3-one
CID 114100754
ethyl 2-[(5-bromo-6-oxo-1-prop-2-enylpyridazin-4-yl)amino]propanoate
CID 114435733
4-bromo-2-ethyl-5-[(3-methyl-2-propan-2-ylbutyl)amino]pyridazin-3-one
CID 102913854
2-[(5-bromo-1-ethyl-6-oxopyridazin-4-yl)amino]ethylurea
CID 114441212
2-[[5-bromo-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N-ethylacetamide
CID 114433599
methyl 2-[4-[(1-amino-1-oxopropan-2-yl)amino]-5-bromo-6-oxopyridazin-1-yl]acetate
CID 114433480
4-bromo-2-ethyl-5-[(2-hydroxy-1-phenylethyl)amino]pyridazin-3-one
CID 114437604

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-1-ethyl-6-oxopyridazin-4-yl)amino]-N-ethylpropanamide?
The IUPAC name of 2-[(5-bromo-1-ethyl-6-oxopyridazin-4-yl)amino]-N-ethylpropanamide (CID 114435614) is 2-[(5-bromo-1-ethyl-6-oxopyridazin-4-yl)amino]-N-ethylpropanamide.
What is the SMILES notation for 2-[(5-bromo-1-ethyl-6-oxopyridazin-4-yl)amino]-N-ethylpropanamide?
The canonical SMILES for 2-[(5-bromo-1-ethyl-6-oxopyridazin-4-yl)amino]-N-ethylpropanamide is CCNC(=O)C(C)Nc1cnn(CC)c(=O)c1Br.
What is the InChIKey of 2-[(5-bromo-1-ethyl-6-oxopyridazin-4-yl)amino]-N-ethylpropanamide?
The InChIKey is LFFHZBXRTZOJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O2/c1-4-13-10(17)7(3)15-8-6-14-16(5-2)11(18)9(8)12/h6-7,15H,4-5H2,1-3H3,(H,13,17).
What are the key properties of 2-[(5-bromo-1-ethyl-6-oxopyridazin-4-yl)amino]-N-ethylpropanamide?
2-[(5-bromo-1-ethyl-6-oxopyridazin-4-yl)amino]-N-ethylpropanamide has a molecular weight of 317.19 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-1-ethyl-6-oxopyridazin-4-yl)amino]-N-ethylpropanamide is sourced from PubChem (CID 114435614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).