4-bromo-5-[1-(4-bromophenyl)ethylamino]-2-ethylpyridazin-3-one

C14H15Br2N3O — CID 114435834

IUPAC4-bromo-5-[1-(4-bromophenyl)ethylamino]-2-ethylpyridazin-3-one
SMILESCCn1ncc(NC(C)c2ccc(Br)cc2)c(Br)c1=O
InChIInChI=1S/C14H15Br2N3O/c1-3-19-14(20)13(16)12(8-17-19)18-9(2)10-4-6-11(15)7-5-10/h4-9,18H,3H2,1-2H3
InChIKeyZGIYVYTYZREXJF-UHFFFAOYSA-N
MW401.10 g/mol
LogP3.96
Rot. Bonds4

About 4-bromo-5-[1-(4-bromophenyl)ethylamino]-2-ethylpyridazin-3-one

4-bromo-5-[1-(4-bromophenyl)ethylamino]-2-ethylpyridazin-3-one (PubChem CID 114435834) has the molecular formula C14H15Br2N3O and a molecular weight of 401.10 g/mol. Its IUPAC name is 4-bromo-5-[1-(4-bromophenyl)ethylamino]-2-ethylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-[1-(4-bromophenyl)ethylamino]-2-ethylpyridazin-3-one
PubChem CID114435834
Molecular FormulaC14H15Br2N3O
Molecular Weight401.10 g/mol
Exact Mass398.96
IUPAC Name4-bromo-5-[1-(4-bromophenyl)ethylamino]-2-ethylpyridazin-3-one
SMILESCCn1ncc(NC(C)c2ccc(Br)cc2)c(Br)c1=O
InChIInChI=1S/C14H15Br2N3O/c1-3-19-14(20)13(16)12(8-17-19)18-9(2)10-4-6-11(15)7-5-10/h4-9,18H,3H2,1-2H3
InChIKeyZGIYVYTYZREXJF-UHFFFAOYSA-N
XLogP3.96
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.10
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-2-ethyl-5-[1-(3-fluoro-4-methylphenyl)ethylamino]pyridazin-3-one
CID 114440333
4-bromo-5-[1-(4-ethylphenyl)ethylamino]-2-methylpyridazin-3-one
CID 115623969
4-chloro-2-ethyl-5-[1-(4-ethylphenyl)ethylamino]pyridazin-3-one
CID 114434311
4-bromo-2-(cyclopropylmethyl)-5-(1-phenylethylamino)pyridazin-3-one
CID 114431893
5-[1-(4-bromophenyl)ethylamino]-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one
CID 114435836
4-bromo-2-ethyl-5-[(2-hydroxy-1-phenylethyl)amino]pyridazin-3-one
CID 114437604
4-bromo-5-(dicyclopropylmethylamino)-2-ethylpyridazin-3-one
CID 114435700
2-[(5-bromo-1-ethyl-6-oxopyridazin-4-yl)amino]-N-ethylpropanamide
CID 114435614
4-bromo-2-ethyl-5-(2,2,3-trimethylbutylamino)pyridazin-3-one
CID 114100754
5-[1-(4-bromophenyl)ethylamino]-4-chloro-2-methylpyridazin-3-one
CID 115577699
4-bromo-2-ethyl-5-[(3-methyl-2-propan-2-ylbutyl)amino]pyridazin-3-one
CID 102913854
4-bromo-2-prop-2-enyl-5-[1-(1H-pyrazol-4-yl)ethylamino]pyridazin-3-one
CID 106214190

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[1-(4-bromophenyl)ethylamino]-2-ethylpyridazin-3-one?
The IUPAC name of 4-bromo-5-[1-(4-bromophenyl)ethylamino]-2-ethylpyridazin-3-one (CID 114435834) is 4-bromo-5-[1-(4-bromophenyl)ethylamino]-2-ethylpyridazin-3-one.
What is the SMILES notation for 4-bromo-5-[1-(4-bromophenyl)ethylamino]-2-ethylpyridazin-3-one?
The canonical SMILES for 4-bromo-5-[1-(4-bromophenyl)ethylamino]-2-ethylpyridazin-3-one is CCn1ncc(NC(C)c2ccc(Br)cc2)c(Br)c1=O.
What is the InChIKey of 4-bromo-5-[1-(4-bromophenyl)ethylamino]-2-ethylpyridazin-3-one?
The InChIKey is ZGIYVYTYZREXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2N3O/c1-3-19-14(20)13(16)12(8-17-19)18-9(2)10-4-6-11(15)7-5-10/h4-9,18H,3H2,1-2H3.
What are the key properties of 4-bromo-5-[1-(4-bromophenyl)ethylamino]-2-ethylpyridazin-3-one?
4-bromo-5-[1-(4-bromophenyl)ethylamino]-2-ethylpyridazin-3-one has a molecular weight of 401.10 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[1-(4-bromophenyl)ethylamino]-2-ethylpyridazin-3-one is sourced from PubChem (CID 114435834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).