4-bromo-2-butyl-5-hydroxypyridazin-3-one

C8H11BrN2O2 — CID 54713067

IUPAC4-bromo-2-butyl-5-hydroxypyridazin-3-one
SMILESCCCCn1ncc(O)c(Br)c1=O
InChIInChI=1S/C8H11BrN2O2/c1-2-3-4-11-8(13)7(9)6(12)5-10-11/h5,12H,2-4H2,1H3
InChIKeyZUNUEIHXXDMHRF-UHFFFAOYSA-N
MW247.09 g/mol
LogP1.51
Rot. Bonds3

About 4-bromo-2-butyl-5-hydroxypyridazin-3-one

4-bromo-2-butyl-5-hydroxypyridazin-3-one (PubChem CID 54713067) has the molecular formula C8H11BrN2O2 and a molecular weight of 247.09 g/mol. Its IUPAC name is 4-bromo-2-butyl-5-hydroxypyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-butyl-5-hydroxypyridazin-3-one
PubChem CID54713067
Molecular FormulaC8H11BrN2O2
Molecular Weight247.09 g/mol
Exact Mass246.00
IUPAC Name4-bromo-2-butyl-5-hydroxypyridazin-3-one
SMILESCCCCn1ncc(O)c(Br)c1=O
InChIInChI=1S/C8H11BrN2O2/c1-2-3-4-11-8(13)7(9)6(12)5-10-11/h5,12H,2-4H2,1H3
InChIKeyZUNUEIHXXDMHRF-UHFFFAOYSA-N
XLogP1.51
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.09
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Bromo-5-hydroxy-2-methylpyridazin-3(2H)-one
CID 54715447
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4-Bromo-5-hydroxy-2-propylpyridazin-3(2H)-one
CID 54714550
5-Bromo-1-ethyl-4-hydroxypyridazin-6-one
CID 54715446
1-Allyl-5-bromo-6-hydroxypyridazin-6-one
CID 54715448
4-Bromo-2-ethyl-5-methoxypyridazin-3(2H)-one
CID 10489782
4-bromo-2-t-butyl-5-hydroxy-3(2H)-pyridazinone
CID 54718038
4,5-Dibromo-2-pentylpyridazin-3-one
CID 69189705
4-Bromo-5-hydroxy-2-(oxolan-2-yl)pyridazin-3-one
CID 140156066
2-Butyl-5-hydroxy-4-methylpyridazin-3-one
CID 154023466
4-Bromo-2-butyl-5-methoxy-3(2H)-pyridazinone
CID 10491626
4-Bromo-5-methoxy-2-(2-oxopropyl)pyridazin-3-one
CID 10563332

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-butyl-5-hydroxypyridazin-3-one?
The IUPAC name of 4-bromo-2-butyl-5-hydroxypyridazin-3-one (CID 54713067) is 4-bromo-2-butyl-5-hydroxypyridazin-3-one.
What is the SMILES notation for 4-bromo-2-butyl-5-hydroxypyridazin-3-one?
The canonical SMILES for 4-bromo-2-butyl-5-hydroxypyridazin-3-one is CCCCn1ncc(O)c(Br)c1=O.
What is the InChIKey of 4-bromo-2-butyl-5-hydroxypyridazin-3-one?
The InChIKey is ZUNUEIHXXDMHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O2/c1-2-3-4-11-8(13)7(9)6(12)5-10-11/h5,12H,2-4H2,1H3.
What are the key properties of 4-bromo-2-butyl-5-hydroxypyridazin-3-one?
4-bromo-2-butyl-5-hydroxypyridazin-3-one has a molecular weight of 247.09 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-butyl-5-hydroxypyridazin-3-one is sourced from PubChem (CID 54713067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).