4-bromo-2-butyl-5-[(2-ethyl-4-hydroxybutyl)amino]pyridazin-3-one

C14H24BrN3O2 — CID 114440323

IUPAC4-bromo-2-butyl-5-[(2-ethyl-4-hydroxybutyl)amino]pyridazin-3-one
SMILESCCCCn1ncc(NCC(CC)CCO)c(Br)c1=O
InChIInChI=1S/C14H24BrN3O2/c1-3-5-7-18-14(20)13(15)12(10-17-18)16-9-11(4-2)6-8-19/h10-11,16,19H,3-9H2,1-2H3
InChIKeyHEGFHDFFWMWQPM-UHFFFAOYSA-N
MW346.27 g/mol
LogP2.63
Rot. Bonds9

About 4-bromo-2-butyl-5-[(2-ethyl-4-hydroxybutyl)amino]pyridazin-3-one

4-bromo-2-butyl-5-[(2-ethyl-4-hydroxybutyl)amino]pyridazin-3-one (PubChem CID 114440323) has the molecular formula C14H24BrN3O2 and a molecular weight of 346.27 g/mol. Its IUPAC name is 4-bromo-2-butyl-5-[(2-ethyl-4-hydroxybutyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-butyl-5-[(2-ethyl-4-hydroxybutyl)amino]pyridazin-3-one
PubChem CID114440323
Molecular FormulaC14H24BrN3O2
Molecular Weight346.27 g/mol
Exact Mass345.11
IUPAC Name4-bromo-2-butyl-5-[(2-ethyl-4-hydroxybutyl)amino]pyridazin-3-one
SMILESCCCCn1ncc(NCC(CC)CCO)c(Br)c1=O
InChIInChI=1S/C14H24BrN3O2/c1-3-5-7-18-14(20)13(15)12(10-17-18)16-9-11(4-2)6-8-19/h10-11,16,19H,3-9H2,1-2H3
InChIKeyHEGFHDFFWMWQPM-UHFFFAOYSA-N
XLogP2.63
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-2-ethyl-5-[(2-ethyl-4-hydroxybutyl)amino]pyridazin-3-one
CID 114440325
4-bromo-2-(2-hydroxyethyl)-5-[2-(2-hydroxyethyl)pentylamino]pyridazin-3-one
CID 106115681
2-butyl-4-chloro-5-[(2-ethyl-4-hydroxybutyl)amino]pyridazin-3-one
CID 114440306
5-(2-aminoethylamino)-4-bromo-2-butylpyridazin-3-one
CID 114444079
4-bromo-2-butyl-5-(3,3-dimethylbutylamino)pyridazin-3-one
CID 114443259
4-bromo-2-butyl-5-[(1-hydroxy-2-methylbutan-2-yl)amino]pyridazin-3-one
CID 114438893
2-[(5-bromo-1-butyl-6-oxopyridazin-4-yl)amino]-N,N-diethylacetamide
CID 114441459
2-[(5-bromo-1-butyl-6-oxopyridazin-4-yl)amino]-N-propylacetamide
CID 114433642
4-bromo-2-butyl-5-(3,3,3-trifluoropropylamino)pyridazin-3-one
CID 114437624
4-bromo-2-butyl-5-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]pyridazin-3-one
CID 106149044
4-bromo-2-butyl-5-[(1-hydroxycyclopentyl)methylamino]pyridazin-3-one
CID 114439301
3-[2-[(5-bromo-1-butyl-6-oxopyridazin-4-yl)amino]ethyl]-1,1-dimethylurea
CID 114441187

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-butyl-5-[(2-ethyl-4-hydroxybutyl)amino]pyridazin-3-one?
The IUPAC name of 4-bromo-2-butyl-5-[(2-ethyl-4-hydroxybutyl)amino]pyridazin-3-one (CID 114440323) is 4-bromo-2-butyl-5-[(2-ethyl-4-hydroxybutyl)amino]pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-butyl-5-[(2-ethyl-4-hydroxybutyl)amino]pyridazin-3-one?
The canonical SMILES for 4-bromo-2-butyl-5-[(2-ethyl-4-hydroxybutyl)amino]pyridazin-3-one is CCCCn1ncc(NCC(CC)CCO)c(Br)c1=O.
What is the InChIKey of 4-bromo-2-butyl-5-[(2-ethyl-4-hydroxybutyl)amino]pyridazin-3-one?
The InChIKey is HEGFHDFFWMWQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrN3O2/c1-3-5-7-18-14(20)13(15)12(10-17-18)16-9-11(4-2)6-8-19/h10-11,16,19H,3-9H2,1-2H3.
What are the key properties of 4-bromo-2-butyl-5-[(2-ethyl-4-hydroxybutyl)amino]pyridazin-3-one?
4-bromo-2-butyl-5-[(2-ethyl-4-hydroxybutyl)amino]pyridazin-3-one has a molecular weight of 346.27 g/mol, XLogP of 2.63, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-butyl-5-[(2-ethyl-4-hydroxybutyl)amino]pyridazin-3-one is sourced from PubChem (CID 114440323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).