4-chloro-5-(2-ethoxypropylamino)-2-(2-methylpropyl)pyridazin-3-one

C13H22ClN3O2 — CID 114442227

IUPAC4-chloro-5-(2-ethoxypropylamino)-2-(2-methylpropyl)pyridazin-3-one
SMILESCCOC(C)CNc1cnn(CC(C)C)c(=O)c1Cl
InChIInChI=1S/C13H22ClN3O2/c1-5-19-10(4)6-15-11-7-16-17(8-9(2)3)13(18)12(11)14/h7,9-10,15H,5-6,8H2,1-4H3
InChIKeySMGVJXXOCNCMSM-UHFFFAOYSA-N
MW287.79 g/mol
LogP2.39
Rot. Bonds7

About 4-chloro-5-(2-ethoxypropylamino)-2-(2-methylpropyl)pyridazin-3-one

4-chloro-5-(2-ethoxypropylamino)-2-(2-methylpropyl)pyridazin-3-one (PubChem CID 114442227) has the molecular formula C13H22ClN3O2 and a molecular weight of 287.79 g/mol. Its IUPAC name is 4-chloro-5-(2-ethoxypropylamino)-2-(2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(2-ethoxypropylamino)-2-(2-methylpropyl)pyridazin-3-one
PubChem CID114442227
Molecular FormulaC13H22ClN3O2
Molecular Weight287.79 g/mol
Exact Mass287.14
IUPAC Name4-chloro-5-(2-ethoxypropylamino)-2-(2-methylpropyl)pyridazin-3-one
SMILESCCOC(C)CNc1cnn(CC(C)C)c(=O)c1Cl
InChIInChI=1S/C13H22ClN3O2/c1-5-19-10(4)6-15-11-7-16-17(8-9(2)3)13(18)12(11)14/h7,9-10,15H,5-6,8H2,1-4H3
InChIKeySMGVJXXOCNCMSM-UHFFFAOYSA-N
XLogP2.39
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-5-(ethylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114431758
4-chloro-5-[(2-methyl-3-methylsulfanylpropyl)amino]-2-(2-methylpropyl)pyridazin-3-one
CID 114438330
4-chloro-5-[(2-ethyl-4-hydroxybutyl)amino]-2-(2-methylpropyl)pyridazin-3-one
CID 114440326
4-chloro-5-[2-(2-hydroxyethyl)pentylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 106115759
4-chloro-5-[2-(ethylamino)ethylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 114444576
4-chloro-5-(3-fluoropropylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114266993
4-chloro-2-(2-methylpropyl)-5-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one
CID 114436460
4-chloro-2-(2-methylpropyl)-5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridazin-3-one
CID 114440008
4-chloro-5-[2-(2-methoxyethoxy)ethylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 114436398
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-bromo-5-(2-ethoxypropylamino)-2-propylpyridazin-3-one
CID 114442219

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(2-ethoxypropylamino)-2-(2-methylpropyl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-(2-ethoxypropylamino)-2-(2-methylpropyl)pyridazin-3-one (CID 114442227) is 4-chloro-5-(2-ethoxypropylamino)-2-(2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(2-ethoxypropylamino)-2-(2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-(2-ethoxypropylamino)-2-(2-methylpropyl)pyridazin-3-one is CCOC(C)CNc1cnn(CC(C)C)c(=O)c1Cl.
What is the InChIKey of 4-chloro-5-(2-ethoxypropylamino)-2-(2-methylpropyl)pyridazin-3-one?
The InChIKey is SMGVJXXOCNCMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3O2/c1-5-19-10(4)6-15-11-7-16-17(8-9(2)3)13(18)12(11)14/h7,9-10,15H,5-6,8H2,1-4H3.
What are the key properties of 4-chloro-5-(2-ethoxypropylamino)-2-(2-methylpropyl)pyridazin-3-one?
4-chloro-5-(2-ethoxypropylamino)-2-(2-methylpropyl)pyridazin-3-one has a molecular weight of 287.79 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(2-ethoxypropylamino)-2-(2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 114442227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).