2-(4-bromobutyl)-5-[ethyl(methyl)amino]pyridazin-3-one

C11H18BrN3O — CID 114394326

IUPAC2-(4-bromobutyl)-5-[ethyl(methyl)amino]pyridazin-3-one
SMILESCCN(C)c1cnn(CCCCBr)c(=O)c1
InChIInChI=1S/C11H18BrN3O/c1-3-14(2)10-8-11(16)15(13-9-10)7-5-4-6-12/h8-9H,3-7H2,1-2H3
InChIKeyMIHDEVBCEIITEZ-UHFFFAOYSA-N
MW288.19 g/mol
LogP1.87
Rot. Bonds6

About 2-(4-bromobutyl)-5-[ethyl(methyl)amino]pyridazin-3-one

2-(4-bromobutyl)-5-[ethyl(methyl)amino]pyridazin-3-one (PubChem CID 114394326) has the molecular formula C11H18BrN3O and a molecular weight of 288.19 g/mol. Its IUPAC name is 2-(4-bromobutyl)-5-[ethyl(methyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-(4-bromobutyl)-5-[ethyl(methyl)amino]pyridazin-3-one
PubChem CID114394326
Molecular FormulaC11H18BrN3O
Molecular Weight288.19 g/mol
Exact Mass287.06
IUPAC Name2-(4-bromobutyl)-5-[ethyl(methyl)amino]pyridazin-3-one
SMILESCCN(C)c1cnn(CCCCBr)c(=O)c1
InChIInChI=1S/C11H18BrN3O/c1-3-14(2)10-8-11(16)15(13-9-10)7-5-4-6-12/h8-9H,3-7H2,1-2H3
InChIKeyMIHDEVBCEIITEZ-UHFFFAOYSA-N
XLogP1.87
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[ethyl(methyl)amino]-2-(4-hydroxybutyl)pyridazin-3-one
CID 114396533
5-[ethyl(methyl)amino]-2-(4-oxopentyl)pyridazin-3-one
CID 114396211
2-[5-(ethylamino)hexyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114394811
2-[2-(tert-butylamino)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114394839
2-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]acetamide
CID 114397031
3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanethioamide
CID 114395814
5-[2-aminoethyl(methyl)amino]-2-octylpyridazin-3-one
CID 103223346
2-(4-chlorobutyl)-5-(diethylamino)pyridazin-3-one
CID 114394352
4-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-3-methylbut-2-enoic acid
CID 104920891
2-amino-3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanamide
CID 114394012
2-[2-(4-ethoxybutylamino)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114397656
2-[2-(2-aminophenyl)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114393582

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromobutyl)-5-[ethyl(methyl)amino]pyridazin-3-one?
The IUPAC name of 2-(4-bromobutyl)-5-[ethyl(methyl)amino]pyridazin-3-one (CID 114394326) is 2-(4-bromobutyl)-5-[ethyl(methyl)amino]pyridazin-3-one.
What is the SMILES notation for 2-(4-bromobutyl)-5-[ethyl(methyl)amino]pyridazin-3-one?
The canonical SMILES for 2-(4-bromobutyl)-5-[ethyl(methyl)amino]pyridazin-3-one is CCN(C)c1cnn(CCCCBr)c(=O)c1.
What is the InChIKey of 2-(4-bromobutyl)-5-[ethyl(methyl)amino]pyridazin-3-one?
The InChIKey is MIHDEVBCEIITEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O/c1-3-14(2)10-8-11(16)15(13-9-10)7-5-4-6-12/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-(4-bromobutyl)-5-[ethyl(methyl)amino]pyridazin-3-one?
2-(4-bromobutyl)-5-[ethyl(methyl)amino]pyridazin-3-one has a molecular weight of 288.19 g/mol, XLogP of 1.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromobutyl)-5-[ethyl(methyl)amino]pyridazin-3-one is sourced from PubChem (CID 114394326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).