4-bromo-5-[1-(2-chlorophenyl)ethylamino]-2-(2-hydroxyethyl)pyridazin-3-one

C14H15BrClN3O2 — CID 114435807

IUPAC4-bromo-5-[1-(2-chlorophenyl)ethylamino]-2-(2-hydroxyethyl)pyridazin-3-one
SMILESCC(Nc1cnn(CCO)c(=O)c1Br)c1ccccc1Cl
InChIInChI=1S/C14H15BrClN3O2/c1-9(10-4-2-3-5-11(10)16)18-12-8-17-19(6-7-20)14(21)13(12)15/h2-5,8-9,18,20H,6-7H2,1H3
InChIKeyFSFRJEDYEVURLF-UHFFFAOYSA-N
MW372.65 g/mol
LogP2.82
Rot. Bonds5

About 4-bromo-5-[1-(2-chlorophenyl)ethylamino]-2-(2-hydroxyethyl)pyridazin-3-one

4-bromo-5-[1-(2-chlorophenyl)ethylamino]-2-(2-hydroxyethyl)pyridazin-3-one (PubChem CID 114435807) has the molecular formula C14H15BrClN3O2 and a molecular weight of 372.65 g/mol. Its IUPAC name is 4-bromo-5-[1-(2-chlorophenyl)ethylamino]-2-(2-hydroxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-[1-(2-chlorophenyl)ethylamino]-2-(2-hydroxyethyl)pyridazin-3-one
PubChem CID114435807
Molecular FormulaC14H15BrClN3O2
Molecular Weight372.65 g/mol
Exact Mass371.00
IUPAC Name4-bromo-5-[1-(2-chlorophenyl)ethylamino]-2-(2-hydroxyethyl)pyridazin-3-one
SMILESCC(Nc1cnn(CCO)c(=O)c1Br)c1ccccc1Cl
InChIInChI=1S/C14H15BrClN3O2/c1-9(10-4-2-3-5-11(10)16)18-12-8-17-19(6-7-20)14(21)13(12)15/h2-5,8-9,18,20H,6-7H2,1H3
InChIKeyFSFRJEDYEVURLF-UHFFFAOYSA-N
XLogP2.82
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.65
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-5-[(2-chlorophenyl)methylamino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 114432196
4-bromo-2-(2-hydroxyethyl)-5-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridazin-3-one
CID 114986022
5-[1-(4-bromophenyl)ethylamino]-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one
CID 114435836
4-bromo-2-(2-hydroxyethyl)-5-(pent-1-yn-3-ylamino)pyridazin-3-one
CID 106231161
5-(benzylamino)-4-bromo-2-(2-hydroxyethyl)pyridazin-3-one
CID 114432062
4-chloro-2-(2-hydroxyethyl)-5-(propan-2-ylamino)pyridazin-3-one
CID 114431361
5-[(2-amino-2-phenylethyl)amino]-4-bromo-2-(2-hydroxyethyl)pyridazin-3-one
CID 114444703
4-bromo-5-[1-(5-chlorothiophen-2-yl)ethylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 114435450
2-[[5-bromo-1-(2-hydroxyethyl)-6-oxopyridazin-4-yl]amino]-N-(2-methoxyethyl)propanamide
CID 114441570
2-[4-[[1-(2-chlorophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol
CID 64829552
4-bromo-5-[1-(2-methylphenyl)ethylamino]-2-propan-2-ylpyridazin-3-one
CID 114435847
4-bromo-5-[(2-chlorophenyl)methylamino]-2-propylpyridazin-3-one
CID 114432195

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[1-(2-chlorophenyl)ethylamino]-2-(2-hydroxyethyl)pyridazin-3-one?
The IUPAC name of 4-bromo-5-[1-(2-chlorophenyl)ethylamino]-2-(2-hydroxyethyl)pyridazin-3-one (CID 114435807) is 4-bromo-5-[1-(2-chlorophenyl)ethylamino]-2-(2-hydroxyethyl)pyridazin-3-one.
What is the SMILES notation for 4-bromo-5-[1-(2-chlorophenyl)ethylamino]-2-(2-hydroxyethyl)pyridazin-3-one?
The canonical SMILES for 4-bromo-5-[1-(2-chlorophenyl)ethylamino]-2-(2-hydroxyethyl)pyridazin-3-one is CC(Nc1cnn(CCO)c(=O)c1Br)c1ccccc1Cl.
What is the InChIKey of 4-bromo-5-[1-(2-chlorophenyl)ethylamino]-2-(2-hydroxyethyl)pyridazin-3-one?
The InChIKey is FSFRJEDYEVURLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClN3O2/c1-9(10-4-2-3-5-11(10)16)18-12-8-17-19(6-7-20)14(21)13(12)15/h2-5,8-9,18,20H,6-7H2,1H3.
What are the key properties of 4-bromo-5-[1-(2-chlorophenyl)ethylamino]-2-(2-hydroxyethyl)pyridazin-3-one?
4-bromo-5-[1-(2-chlorophenyl)ethylamino]-2-(2-hydroxyethyl)pyridazin-3-one has a molecular weight of 372.65 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[1-(2-chlorophenyl)ethylamino]-2-(2-hydroxyethyl)pyridazin-3-one is sourced from PubChem (CID 114435807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).