4-chloro-5-[2-(2-methoxyethoxy)ethylamino]-2-(2-methylpropyl)pyridazin-3-one

C13H22ClN3O3 — CID 114436398

IUPAC4-chloro-5-[2-(2-methoxyethoxy)ethylamino]-2-(2-methylpropyl)pyridazin-3-one
SMILESCOCCOCCNc1cnn(CC(C)C)c(=O)c1Cl
InChIInChI=1S/C13H22ClN3O3/c1-10(2)9-17-13(18)12(14)11(8-16-17)15-4-5-20-7-6-19-3/h8,10,15H,4-7,9H2,1-3H3
InChIKeyJJRYQUFPDADRCJ-UHFFFAOYSA-N
MW303.79 g/mol
LogP1.63
Rot. Bonds9

About 4-chloro-5-[2-(2-methoxyethoxy)ethylamino]-2-(2-methylpropyl)pyridazin-3-one

4-chloro-5-[2-(2-methoxyethoxy)ethylamino]-2-(2-methylpropyl)pyridazin-3-one (PubChem CID 114436398) has the molecular formula C13H22ClN3O3 and a molecular weight of 303.79 g/mol. Its IUPAC name is 4-chloro-5-[2-(2-methoxyethoxy)ethylamino]-2-(2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[2-(2-methoxyethoxy)ethylamino]-2-(2-methylpropyl)pyridazin-3-one
PubChem CID114436398
Molecular FormulaC13H22ClN3O3
Molecular Weight303.79 g/mol
Exact Mass303.13
IUPAC Name4-chloro-5-[2-(2-methoxyethoxy)ethylamino]-2-(2-methylpropyl)pyridazin-3-one
SMILESCOCCOCCNc1cnn(CC(C)C)c(=O)c1Cl
InChIInChI=1S/C13H22ClN3O3/c1-10(2)9-17-13(18)12(14)11(8-16-17)15-4-5-20-7-6-19-3/h8,10,15H,4-7,9H2,1-3H3
InChIKeyJJRYQUFPDADRCJ-UHFFFAOYSA-N
XLogP1.63
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-5-(ethylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114431758
4-chloro-5-(3-fluoropropylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114266993
4-chloro-5-[2-(ethylamino)ethylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 114444576
4-chloro-5-[2-(2,2-difluoroethoxy)ethylamino]-2-(2-methoxyethyl)pyridazin-3-one
CID 103081526
4-chloro-2-(2-methoxyethyl)-5-(4-methylpentylamino)pyridazin-3-one
CID 115579123
4-chloro-5-[3-[methyl(propan-2-yl)amino]propylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 106048521
3-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylpropanamide
CID 114434114
4-chloro-5-(4-hydroxypentylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 106136715
N-[2-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]ethyl]methanesulfonamide
CID 114433515
4-chloro-2-(2-methylpropyl)-5-(2-phenylethylamino)pyridazin-3-one
CID 114432372
4-chloro-5-(2-cyclopentylethylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114434019
4-chloro-5-(3-hydroxybutylamino)-2-(2-methoxyethyl)pyridazin-3-one
CID 113236537

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[2-(2-methoxyethoxy)ethylamino]-2-(2-methylpropyl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-[2-(2-methoxyethoxy)ethylamino]-2-(2-methylpropyl)pyridazin-3-one (CID 114436398) is 4-chloro-5-[2-(2-methoxyethoxy)ethylamino]-2-(2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[2-(2-methoxyethoxy)ethylamino]-2-(2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-[2-(2-methoxyethoxy)ethylamino]-2-(2-methylpropyl)pyridazin-3-one is COCCOCCNc1cnn(CC(C)C)c(=O)c1Cl.
What is the InChIKey of 4-chloro-5-[2-(2-methoxyethoxy)ethylamino]-2-(2-methylpropyl)pyridazin-3-one?
The InChIKey is JJRYQUFPDADRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3O3/c1-10(2)9-17-13(18)12(14)11(8-16-17)15-4-5-20-7-6-19-3/h8,10,15H,4-7,9H2,1-3H3.
What are the key properties of 4-chloro-5-[2-(2-methoxyethoxy)ethylamino]-2-(2-methylpropyl)pyridazin-3-one?
4-chloro-5-[2-(2-methoxyethoxy)ethylamino]-2-(2-methylpropyl)pyridazin-3-one has a molecular weight of 303.79 g/mol, XLogP of 1.63, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[2-(2-methoxyethoxy)ethylamino]-2-(2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 114436398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).