4-bromo-5-[2-(cyclopenten-1-yl)ethylamino]-2-(2-methylpropyl)pyridazin-3-one

C15H22BrN3O — CID 106177626

IUPAC4-bromo-5-[2-(cyclopenten-1-yl)ethylamino]-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cn1ncc(NCCC2=CCCC2)c(Br)c1=O
InChIInChI=1S/C15H22BrN3O/c1-11(2)10-19-15(20)14(16)13(9-18-19)17-8-7-12-5-3-4-6-12/h5,9,11,17H,3-4,6-8,10H2,1-2H3
InChIKeyRWYXCKCEHVHBAR-UHFFFAOYSA-N
MW340.27 g/mol
LogP3.57
Rot. Bonds6

About 4-bromo-5-[2-(cyclopenten-1-yl)ethylamino]-2-(2-methylpropyl)pyridazin-3-one

4-bromo-5-[2-(cyclopenten-1-yl)ethylamino]-2-(2-methylpropyl)pyridazin-3-one (PubChem CID 106177626) has the molecular formula C15H22BrN3O and a molecular weight of 340.27 g/mol. Its IUPAC name is 4-bromo-5-[2-(cyclopenten-1-yl)ethylamino]-2-(2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-[2-(cyclopenten-1-yl)ethylamino]-2-(2-methylpropyl)pyridazin-3-one
PubChem CID106177626
Molecular FormulaC15H22BrN3O
Molecular Weight340.27 g/mol
Exact Mass339.09
IUPAC Name4-bromo-5-[2-(cyclopenten-1-yl)ethylamino]-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cn1ncc(NCCC2=CCCC2)c(Br)c1=O
InChIInChI=1S/C15H22BrN3O/c1-11(2)10-19-15(20)14(16)13(9-18-19)17-8-7-12-5-3-4-6-12/h5,9,11,17H,3-4,6-8,10H2,1-2H3
InChIKeyRWYXCKCEHVHBAR-UHFFFAOYSA-N
XLogP3.57
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-bromo-5-(4-methylpentylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114434648
4-bromo-2-(2-methylpropyl)-5-(2-piperazin-1-ylethylamino)pyridazin-3-one
CID 114444002
4-bromo-5-(2-ethoxyethylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114433703
4-chloro-2-(2-methylpropyl)-5-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]pyridazin-3-one
CID 107489264
4-bromo-5-[3-(2-hydroxyethoxy)propylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 106311127
4-bromo-2-(2-methylpropyl)-5-[2-(oxolan-2-yl)ethylamino]pyridazin-3-one
CID 114434695
2-[[5-bromo-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N-methylacetamide
CID 114432996
2-butyl-4-chloro-5-[2-(cyclopenten-1-yl)ethylamino]pyridazin-3-one
CID 106177595
4-bromo-2-(2-methylpropyl)-5-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one
CID 114435149
5-[(2-amino-2-cyclopropylethyl)amino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one
CID 114446681
4-bromo-5-(2-imidazol-1-ylethylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114435124
3-[[5-bromo-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N-propylpropanamide
CID 114436543

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[2-(cyclopenten-1-yl)ethylamino]-2-(2-methylpropyl)pyridazin-3-one?
The IUPAC name of 4-bromo-5-[2-(cyclopenten-1-yl)ethylamino]-2-(2-methylpropyl)pyridazin-3-one (CID 106177626) is 4-bromo-5-[2-(cyclopenten-1-yl)ethylamino]-2-(2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 4-bromo-5-[2-(cyclopenten-1-yl)ethylamino]-2-(2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 4-bromo-5-[2-(cyclopenten-1-yl)ethylamino]-2-(2-methylpropyl)pyridazin-3-one is CC(C)Cn1ncc(NCCC2=CCCC2)c(Br)c1=O.
What is the InChIKey of 4-bromo-5-[2-(cyclopenten-1-yl)ethylamino]-2-(2-methylpropyl)pyridazin-3-one?
The InChIKey is RWYXCKCEHVHBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O/c1-11(2)10-19-15(20)14(16)13(9-18-19)17-8-7-12-5-3-4-6-12/h5,9,11,17H,3-4,6-8,10H2,1-2H3.
What are the key properties of 4-bromo-5-[2-(cyclopenten-1-yl)ethylamino]-2-(2-methylpropyl)pyridazin-3-one?
4-bromo-5-[2-(cyclopenten-1-yl)ethylamino]-2-(2-methylpropyl)pyridazin-3-one has a molecular weight of 340.27 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[2-(cyclopenten-1-yl)ethylamino]-2-(2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 106177626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).