4-bromo-5-[2-(4-hydroxyphenyl)ethylamino]-2-propylpyridazin-3-one

C15H18BrN3O2 — CID 114434953

IUPAC4-bromo-5-[2-(4-hydroxyphenyl)ethylamino]-2-propylpyridazin-3-one
SMILESCCCn1ncc(NCCc2ccc(O)cc2)c(Br)c1=O
InChIInChI=1S/C15H18BrN3O2/c1-2-9-19-15(21)14(16)13(10-18-19)17-8-7-11-3-5-12(20)6-4-11/h3-6,10,17,20H,2,7-9H2,1H3
InChIKeySWNGPHVEQSULKR-UHFFFAOYSA-N
MW352.23 g/mol
LogP2.78
Rot. Bonds6

About 4-bromo-5-[2-(4-hydroxyphenyl)ethylamino]-2-propylpyridazin-3-one

4-bromo-5-[2-(4-hydroxyphenyl)ethylamino]-2-propylpyridazin-3-one (PubChem CID 114434953) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is 4-bromo-5-[2-(4-hydroxyphenyl)ethylamino]-2-propylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-[2-(4-hydroxyphenyl)ethylamino]-2-propylpyridazin-3-one
PubChem CID114434953
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Name4-bromo-5-[2-(4-hydroxyphenyl)ethylamino]-2-propylpyridazin-3-one
SMILESCCCn1ncc(NCCc2ccc(O)cc2)c(Br)c1=O
InChIInChI=1S/C15H18BrN3O2/c1-2-9-19-15(21)14(16)13(10-18-19)17-8-7-11-3-5-12(20)6-4-11/h3-6,10,17,20H,2,7-9H2,1H3
InChIKeySWNGPHVEQSULKR-UHFFFAOYSA-N
XLogP2.78
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-2-(2-hydroxyethyl)-5-[2-(4-hydroxyphenyl)ethylamino]pyridazin-3-one
CID 114434954
4-bromo-5-[2-(5-bromothiophen-2-yl)ethylamino]-2-propylpyridazin-3-one
CID 106049014
4-bromo-2-propyl-5-[2-(propylamino)ethylamino]pyridazin-3-one
CID 114444606
3-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]-N-propylpropanamide
CID 114436551
3-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]-N,N-dimethylpropanamide
CID 114434105
4-bromo-2-(2-hydroxyethyl)-5-[2-(1-methylpyrazol-4-yl)ethylamino]pyridazin-3-one
CID 114440461
4-chloro-5-[(4-hydroxyphenyl)methylamino]-2-propylpyridazin-3-one
CID 114443493
4-bromo-5-(2-piperidin-1-ylethylamino)-2-propylpyridazin-3-one
CID 114436057
4-bromo-5-[3-(2-hydroxyethoxy)propylamino]-2-propylpyridazin-3-one
CID 106311115
4-bromo-5-(3-methylbut-2-enylamino)-2-propylpyridazin-3-one
CID 114156177
N-[3-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]propyl]methanesulfonamide
CID 106337187
4-bromo-5-(hex-5-ynylamino)-2-propylpyridazin-3-one
CID 106214519

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[2-(4-hydroxyphenyl)ethylamino]-2-propylpyridazin-3-one?
The IUPAC name of 4-bromo-5-[2-(4-hydroxyphenyl)ethylamino]-2-propylpyridazin-3-one (CID 114434953) is 4-bromo-5-[2-(4-hydroxyphenyl)ethylamino]-2-propylpyridazin-3-one.
What is the SMILES notation for 4-bromo-5-[2-(4-hydroxyphenyl)ethylamino]-2-propylpyridazin-3-one?
The canonical SMILES for 4-bromo-5-[2-(4-hydroxyphenyl)ethylamino]-2-propylpyridazin-3-one is CCCn1ncc(NCCc2ccc(O)cc2)c(Br)c1=O.
What is the InChIKey of 4-bromo-5-[2-(4-hydroxyphenyl)ethylamino]-2-propylpyridazin-3-one?
The InChIKey is SWNGPHVEQSULKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c1-2-9-19-15(21)14(16)13(10-18-19)17-8-7-11-3-5-12(20)6-4-11/h3-6,10,17,20H,2,7-9H2,1H3.
What are the key properties of 4-bromo-5-[2-(4-hydroxyphenyl)ethylamino]-2-propylpyridazin-3-one?
4-bromo-5-[2-(4-hydroxyphenyl)ethylamino]-2-propylpyridazin-3-one has a molecular weight of 352.23 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[2-(4-hydroxyphenyl)ethylamino]-2-propylpyridazin-3-one is sourced from PubChem (CID 114434953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).