4-bromo-5-(2-ethoxyethylamino)-2-methylpyridazin-3-one

C9H14BrN3O2 — CID 115624079

IUPAC4-bromo-5-(2-ethoxyethylamino)-2-methylpyridazin-3-one
SMILESCCOCCNc1cnn(C)c(=O)c1Br
InChIInChI=1S/C9H14BrN3O2/c1-3-15-5-4-11-7-6-12-13(2)9(14)8(7)10/h6,11H,3-5H2,1-2H3
InChIKeyAMSSGZZNFUCUAV-UHFFFAOYSA-N
MW276.13 g/mol
LogP0.99
Rot. Bonds5

About 4-bromo-5-(2-ethoxyethylamino)-2-methylpyridazin-3-one

4-bromo-5-(2-ethoxyethylamino)-2-methylpyridazin-3-one (PubChem CID 115624079) has the molecular formula C9H14BrN3O2 and a molecular weight of 276.13 g/mol. Its IUPAC name is 4-bromo-5-(2-ethoxyethylamino)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-(2-ethoxyethylamino)-2-methylpyridazin-3-one
PubChem CID115624079
Molecular FormulaC9H14BrN3O2
Molecular Weight276.13 g/mol
Exact Mass275.03
IUPAC Name4-bromo-5-(2-ethoxyethylamino)-2-methylpyridazin-3-one
SMILESCCOCCNc1cnn(C)c(=O)c1Br
InChIInChI=1S/C9H14BrN3O2/c1-3-15-5-4-11-7-6-12-13(2)9(14)8(7)10/h6,11H,3-5H2,1-2H3
InChIKeyAMSSGZZNFUCUAV-UHFFFAOYSA-N
XLogP0.99
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.13
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-bromo-5-(2-ethoxyethylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114433703
4-bromo-5-[[2-(ethoxymethyl)phenyl]methylamino]-2-methylpyridazin-3-one
CID 115624032
4-bromo-5-(but-3-ynylamino)-2-methylpyridazin-3-one
CID 115625317
4-bromo-5-[3-(4-methoxyphenoxy)propylamino]-2-methylpyridazin-3-one
CID 133303798
4-bromo-2-methyl-5-[2-[4-(trifluoromethyl)phenoxy]ethylamino]pyridazin-3-one
CID 133303589
5-[2-(azepan-1-yl)ethylamino]-4-bromo-2-methylpyridazin-3-one
CID 115624040
4-bromo-2-propyl-5-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridazin-3-one
CID 114438156
4-bromo-2-methyl-5-(3-methylpentan-3-ylamino)pyridazin-3-one
CID 106329404
4-bromo-2-ethyl-5-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridazin-3-one
CID 114438163
4-bromo-5-[(2-hydroxy-2-methylpentyl)amino]-2-methylpyridazin-3-one
CID 113235103
4-bromo-5-[2-(cycloheptylamino)ethylamino]-2-methylpyridazin-3-one
CID 114446788
4-bromo-5-[(5-hydroxy-4-methylpentyl)amino]-2-methylpyridazin-3-one
CID 113340114

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(2-ethoxyethylamino)-2-methylpyridazin-3-one?
The IUPAC name of 4-bromo-5-(2-ethoxyethylamino)-2-methylpyridazin-3-one (CID 115624079) is 4-bromo-5-(2-ethoxyethylamino)-2-methylpyridazin-3-one.
What is the SMILES notation for 4-bromo-5-(2-ethoxyethylamino)-2-methylpyridazin-3-one?
The canonical SMILES for 4-bromo-5-(2-ethoxyethylamino)-2-methylpyridazin-3-one is CCOCCNc1cnn(C)c(=O)c1Br.
What is the InChIKey of 4-bromo-5-(2-ethoxyethylamino)-2-methylpyridazin-3-one?
The InChIKey is AMSSGZZNFUCUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O2/c1-3-15-5-4-11-7-6-12-13(2)9(14)8(7)10/h6,11H,3-5H2,1-2H3.
What are the key properties of 4-bromo-5-(2-ethoxyethylamino)-2-methylpyridazin-3-one?
4-bromo-5-(2-ethoxyethylamino)-2-methylpyridazin-3-one has a molecular weight of 276.13 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(2-ethoxyethylamino)-2-methylpyridazin-3-one is sourced from PubChem (CID 115624079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).