4-bromo-2-(2-methylpropyl)-5-[2-(oxolan-2-yl)ethylamino]pyridazin-3-one

C14H22BrN3O2 — CID 114434695

IUPAC4-bromo-2-(2-methylpropyl)-5-[2-(oxolan-2-yl)ethylamino]pyridazin-3-one
SMILESCC(C)Cn1ncc(NCCC2CCCO2)c(Br)c1=O
InChIInChI=1S/C14H22BrN3O2/c1-10(2)9-18-14(19)13(15)12(8-17-18)16-6-5-11-4-3-7-20-11/h8,10-11,16H,3-7,9H2,1-2H3
InChIKeyRPJNWJHXIXFJER-UHFFFAOYSA-N
MW344.25 g/mol
LogP2.64
Rot. Bonds6

About 4-bromo-2-(2-methylpropyl)-5-[2-(oxolan-2-yl)ethylamino]pyridazin-3-one

4-bromo-2-(2-methylpropyl)-5-[2-(oxolan-2-yl)ethylamino]pyridazin-3-one (PubChem CID 114434695) has the molecular formula C14H22BrN3O2 and a molecular weight of 344.25 g/mol. Its IUPAC name is 4-bromo-2-(2-methylpropyl)-5-[2-(oxolan-2-yl)ethylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-(2-methylpropyl)-5-[2-(oxolan-2-yl)ethylamino]pyridazin-3-one
PubChem CID114434695
Molecular FormulaC14H22BrN3O2
Molecular Weight344.25 g/mol
Exact Mass343.09
IUPAC Name4-bromo-2-(2-methylpropyl)-5-[2-(oxolan-2-yl)ethylamino]pyridazin-3-one
SMILESCC(C)Cn1ncc(NCCC2CCCO2)c(Br)c1=O
InChIInChI=1S/C14H22BrN3O2/c1-10(2)9-18-14(19)13(15)12(8-17-18)16-6-5-11-4-3-7-20-11/h8,10-11,16H,3-7,9H2,1-2H3
InChIKeyRPJNWJHXIXFJER-UHFFFAOYSA-N
XLogP2.64
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-2-(2-methylpropyl)-5-(2-piperidin-3-ylethylamino)pyridazin-3-one
CID 114445044
4-bromo-2-(2-methylpropyl)-5-(2-pyrrolidin-3-ylethylamino)pyridazin-3-one
CID 114445066
4-bromo-5-(4-methylpentylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114434648
5-[(2-amino-2-cyclopropylethyl)amino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one
CID 114446681
4-bromo-5-[2-(cyclopenten-1-yl)ethylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 106177626
4-bromo-5-(4-hydroxypentylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 106136743
4-bromo-5-(2-ethoxyethylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114433703
4-bromo-5-[3-(2-hydroxyethoxy)propylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 106311127
4-bromo-2-(2-methylpropyl)-5-(2-piperazin-1-ylethylamino)pyridazin-3-one
CID 114444002
4-bromo-2-[2-(dimethylamino)ethyl]-5-(oxan-2-ylmethylamino)pyridazin-3-one
CID 114436086
4-chloro-5-(2-cyclopentylethylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114434019
4-bromo-2-(2-methylpropyl)-5-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one
CID 114435149

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2-methylpropyl)-5-[2-(oxolan-2-yl)ethylamino]pyridazin-3-one?
The IUPAC name of 4-bromo-2-(2-methylpropyl)-5-[2-(oxolan-2-yl)ethylamino]pyridazin-3-one (CID 114434695) is 4-bromo-2-(2-methylpropyl)-5-[2-(oxolan-2-yl)ethylamino]pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-(2-methylpropyl)-5-[2-(oxolan-2-yl)ethylamino]pyridazin-3-one?
The canonical SMILES for 4-bromo-2-(2-methylpropyl)-5-[2-(oxolan-2-yl)ethylamino]pyridazin-3-one is CC(C)Cn1ncc(NCCC2CCCO2)c(Br)c1=O.
What is the InChIKey of 4-bromo-2-(2-methylpropyl)-5-[2-(oxolan-2-yl)ethylamino]pyridazin-3-one?
The InChIKey is RPJNWJHXIXFJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O2/c1-10(2)9-18-14(19)13(15)12(8-17-18)16-6-5-11-4-3-7-20-11/h8,10-11,16H,3-7,9H2,1-2H3.
What are the key properties of 4-bromo-2-(2-methylpropyl)-5-[2-(oxolan-2-yl)ethylamino]pyridazin-3-one?
4-bromo-2-(2-methylpropyl)-5-[2-(oxolan-2-yl)ethylamino]pyridazin-3-one has a molecular weight of 344.25 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2-methylpropyl)-5-[2-(oxolan-2-yl)ethylamino]pyridazin-3-one is sourced from PubChem (CID 114434695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).