4-bromo-2-propyl-5-[2-(propylamino)ethylamino]pyridazin-3-one

C12H21BrN4O — CID 114444606

IUPAC4-bromo-2-propyl-5-[2-(propylamino)ethylamino]pyridazin-3-one
SMILESCCCNCCNc1cnn(CCC)c(=O)c1Br
InChIInChI=1S/C12H21BrN4O/c1-3-5-14-6-7-15-10-9-16-17(8-4-2)12(18)11(10)13/h9,14-15H,3-8H2,1-2H3
InChIKeyLWVOVJGFFCTIOY-UHFFFAOYSA-N
MW317.23 g/mol
LogP1.83
Rot. Bonds8

About 4-bromo-2-propyl-5-[2-(propylamino)ethylamino]pyridazin-3-one

4-bromo-2-propyl-5-[2-(propylamino)ethylamino]pyridazin-3-one (PubChem CID 114444606) has the molecular formula C12H21BrN4O and a molecular weight of 317.23 g/mol. Its IUPAC name is 4-bromo-2-propyl-5-[2-(propylamino)ethylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-propyl-5-[2-(propylamino)ethylamino]pyridazin-3-one
PubChem CID114444606
Molecular FormulaC12H21BrN4O
Molecular Weight317.23 g/mol
Exact Mass316.09
IUPAC Name4-bromo-2-propyl-5-[2-(propylamino)ethylamino]pyridazin-3-one
SMILESCCCNCCNc1cnn(CCC)c(=O)c1Br
InChIInChI=1S/C12H21BrN4O/c1-3-5-14-6-7-15-10-9-16-17(8-4-2)12(18)11(10)13/h9,14-15H,3-8H2,1-2H3
InChIKeyLWVOVJGFFCTIOY-UHFFFAOYSA-N
XLogP1.83
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]-N-propylpropanamide
CID 114436551
4-bromo-2-ethyl-5-[2-(ethylamino)ethylamino]pyridazin-3-one
CID 114444572
4-bromo-2-propyl-5-(2-prop-2-ynylsulfanylethylamino)pyridazin-3-one
CID 114187896
4-bromo-5-(2-piperidin-1-ylethylamino)-2-propylpyridazin-3-one
CID 114436057
3-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]-N,N-dimethylpropanamide
CID 114434105
N-[3-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]propyl]methanesulfonamide
CID 106337187
4-bromo-5-(hex-5-ynylamino)-2-propylpyridazin-3-one
CID 106214519
N-[2-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 114442437
4-bromo-5-[2-(5-bromothiophen-2-yl)ethylamino]-2-propylpyridazin-3-one
CID 106049014
4-bromo-5-[2-(4-hydroxyphenyl)ethylamino]-2-propylpyridazin-3-one
CID 114434953
5-(2-aminoethylamino)-4-bromo-2-butylpyridazin-3-one
CID 114444079
4-bromo-5-[[2-(dimethylamino)-2-methylpropyl]amino]-2-propylpyridazin-3-one
CID 114436154

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-propyl-5-[2-(propylamino)ethylamino]pyridazin-3-one?
The IUPAC name of 4-bromo-2-propyl-5-[2-(propylamino)ethylamino]pyridazin-3-one (CID 114444606) is 4-bromo-2-propyl-5-[2-(propylamino)ethylamino]pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-propyl-5-[2-(propylamino)ethylamino]pyridazin-3-one?
The canonical SMILES for 4-bromo-2-propyl-5-[2-(propylamino)ethylamino]pyridazin-3-one is CCCNCCNc1cnn(CCC)c(=O)c1Br.
What is the InChIKey of 4-bromo-2-propyl-5-[2-(propylamino)ethylamino]pyridazin-3-one?
The InChIKey is LWVOVJGFFCTIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrN4O/c1-3-5-14-6-7-15-10-9-16-17(8-4-2)12(18)11(10)13/h9,14-15H,3-8H2,1-2H3.
What are the key properties of 4-bromo-2-propyl-5-[2-(propylamino)ethylamino]pyridazin-3-one?
4-bromo-2-propyl-5-[2-(propylamino)ethylamino]pyridazin-3-one has a molecular weight of 317.23 g/mol, XLogP of 1.83, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-propyl-5-[2-(propylamino)ethylamino]pyridazin-3-one is sourced from PubChem (CID 114444606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).