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

C9H13BrN2O2 — CID 10491626

IUPAC4-bromo-2-butyl-5-methoxypyridazin-3-one
SMILESCCCCn1ncc(OC)c(Br)c1=O
InChIInChI=1S/C9H13BrN2O2/c1-3-4-5-12-9(13)8(10)7(14-2)6-11-12/h6H,3-5H2,1-2H3
InChIKeyHWBPTRNRHDDLDP-UHFFFAOYSA-N
MW261.12 g/mol
LogP1.81
Rot. Bonds4

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

4-bromo-2-butyl-5-methoxypyridazin-3-one (PubChem CID 10491626) has the molecular formula C9H13BrN2O2 and a molecular weight of 261.12 g/mol. Its IUPAC name is 4-bromo-2-butyl-5-methoxypyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-butyl-5-methoxypyridazin-3-one
PubChem CID10491626
Molecular FormulaC9H13BrN2O2
Molecular Weight261.12 g/mol
Exact Mass260.02
IUPAC Name4-bromo-2-butyl-5-methoxypyridazin-3-one
SMILESCCCCn1ncc(OC)c(Br)c1=O
InChIInChI=1S/C9H13BrN2O2/c1-3-4-5-12-9(13)8(10)7(14-2)6-11-12/h6H,3-5H2,1-2H3
InChIKeyHWBPTRNRHDDLDP-UHFFFAOYSA-N
XLogP1.81
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.12
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-butyl-5-methoxypyridazin-3-one?
The IUPAC name of 4-bromo-2-butyl-5-methoxypyridazin-3-one (CID 10491626) is 4-bromo-2-butyl-5-methoxypyridazin-3-one.
What is the SMILES notation for 4-bromo-2-butyl-5-methoxypyridazin-3-one?
The canonical SMILES for 4-bromo-2-butyl-5-methoxypyridazin-3-one is CCCCn1ncc(OC)c(Br)c1=O.
What is the InChIKey of 4-bromo-2-butyl-5-methoxypyridazin-3-one?
The InChIKey is HWBPTRNRHDDLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O2/c1-3-4-5-12-9(13)8(10)7(14-2)6-11-12/h6H,3-5H2,1-2H3.
What are the key properties of 4-bromo-2-butyl-5-methoxypyridazin-3-one?
4-bromo-2-butyl-5-methoxypyridazin-3-one has a molecular weight of 261.12 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-butyl-5-methoxypyridazin-3-one is sourced from PubChem (CID 10491626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).