4-bromo-2-ethyl-5-[(2-hydroxy-1-phenylethyl)amino]pyridazin-3-one

C14H16BrN3O2 — CID 114437604

IUPAC4-bromo-2-ethyl-5-[(2-hydroxy-1-phenylethyl)amino]pyridazin-3-one
SMILESCCn1ncc(NC(CO)c2ccccc2)c(Br)c1=O
InChIInChI=1S/C14H16BrN3O2/c1-2-18-14(20)13(15)11(8-16-18)17-12(9-19)10-6-4-3-5-7-10/h3-8,12,17,19H,2,9H2,1H3
InChIKeyZNJOHVIVMYCTKY-UHFFFAOYSA-N
MW338.21 g/mol
LogP2.17
Rot. Bonds5

About 4-bromo-2-ethyl-5-[(2-hydroxy-1-phenylethyl)amino]pyridazin-3-one

4-bromo-2-ethyl-5-[(2-hydroxy-1-phenylethyl)amino]pyridazin-3-one (PubChem CID 114437604) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is 4-bromo-2-ethyl-5-[(2-hydroxy-1-phenylethyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-ethyl-5-[(2-hydroxy-1-phenylethyl)amino]pyridazin-3-one
PubChem CID114437604
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Name4-bromo-2-ethyl-5-[(2-hydroxy-1-phenylethyl)amino]pyridazin-3-one
SMILESCCn1ncc(NC(CO)c2ccccc2)c(Br)c1=O
InChIInChI=1S/C14H16BrN3O2/c1-2-18-14(20)13(15)11(8-16-18)17-12(9-19)10-6-4-3-5-7-10/h3-8,12,17,19H,2,9H2,1H3
InChIKeyZNJOHVIVMYCTKY-UHFFFAOYSA-N
XLogP2.17
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-5-[1-(4-bromophenyl)ethylamino]-2-ethylpyridazin-3-one
CID 114435834
4-bromo-5-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpyridazin-3-one
CID 133445144
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-(cyclopropylmethyl)-5-(1-phenylethylamino)pyridazin-3-one
CID 114431893
4-bromo-2-ethyl-5-[(2-ethyl-4-hydroxybutyl)amino]pyridazin-3-one
CID 114440325
4-bromo-2-ethyl-5-[1-(3-fluoro-4-methylphenyl)ethylamino]pyridazin-3-one
CID 114440333
4-bromo-2-ethyl-5-(3-phenoxypropylamino)pyridazin-3-one
CID 114437016
4-bromo-2-ethyl-5-(2,2,3-trimethylbutylamino)pyridazin-3-one
CID 114100754
5-[(2-amino-1-cyclopropylethyl)amino]-4-bromo-2-ethylpyridazin-3-one
CID 114445638
(2S)-2-(2-bromoanilino)-2-phenylethanol
CID 135041919
4-bromo-2-ethyl-5-[(3-methyl-2-propan-2-ylbutyl)amino]pyridazin-3-one
CID 102913854

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethyl-5-[(2-hydroxy-1-phenylethyl)amino]pyridazin-3-one?
The IUPAC name of 4-bromo-2-ethyl-5-[(2-hydroxy-1-phenylethyl)amino]pyridazin-3-one (CID 114437604) is 4-bromo-2-ethyl-5-[(2-hydroxy-1-phenylethyl)amino]pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-ethyl-5-[(2-hydroxy-1-phenylethyl)amino]pyridazin-3-one?
The canonical SMILES for 4-bromo-2-ethyl-5-[(2-hydroxy-1-phenylethyl)amino]pyridazin-3-one is CCn1ncc(NC(CO)c2ccccc2)c(Br)c1=O.
What is the InChIKey of 4-bromo-2-ethyl-5-[(2-hydroxy-1-phenylethyl)amino]pyridazin-3-one?
The InChIKey is ZNJOHVIVMYCTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-2-18-14(20)13(15)11(8-16-18)17-12(9-19)10-6-4-3-5-7-10/h3-8,12,17,19H,2,9H2,1H3.
What are the key properties of 4-bromo-2-ethyl-5-[(2-hydroxy-1-phenylethyl)amino]pyridazin-3-one?
4-bromo-2-ethyl-5-[(2-hydroxy-1-phenylethyl)amino]pyridazin-3-one has a molecular weight of 338.21 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-ethyl-5-[(2-hydroxy-1-phenylethyl)amino]pyridazin-3-one is sourced from PubChem (CID 114437604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).