4-chloro-2-(2,4-dichlorophenyl)-5-[2-(2-methylprop-2-enoxy)ethylamino]pyridazin-3-one

C16H16Cl3N3O2 — CID 133366350

IUPAC4-chloro-2-(2,4-dichlorophenyl)-5-[2-(2-methylprop-2-enoxy)ethylamino]pyridazin-3-one
SMILESC=C(C)COCCNc1cnn(-c2ccc(Cl)cc2Cl)c(=O)c1Cl
InChIInChI=1S/C16H16Cl3N3O2/c1-10(2)9-24-6-5-20-13-8-21-22(16(23)15(13)19)14-4-3-11(17)7-12(14)18/h3-4,7-8,20H,1,5-6,9H2,2H3
InChIKeyKOXRBHGKRCTCLX-UHFFFAOYSA-N
MW388.68 g/mol
LogP4.20
Rot. Bonds7

About 4-chloro-2-(2,4-dichlorophenyl)-5-[2-(2-methylprop-2-enoxy)ethylamino]pyridazin-3-one

4-chloro-2-(2,4-dichlorophenyl)-5-[2-(2-methylprop-2-enoxy)ethylamino]pyridazin-3-one (PubChem CID 133366350) has the molecular formula C16H16Cl3N3O2 and a molecular weight of 388.68 g/mol. Its IUPAC name is 4-chloro-2-(2,4-dichlorophenyl)-5-[2-(2-methylprop-2-enoxy)ethylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(2,4-dichlorophenyl)-5-[2-(2-methylprop-2-enoxy)ethylamino]pyridazin-3-one
PubChem CID133366350
Molecular FormulaC16H16Cl3N3O2
Molecular Weight388.68 g/mol
Exact Mass387.03
IUPAC Name4-chloro-2-(2,4-dichlorophenyl)-5-[2-(2-methylprop-2-enoxy)ethylamino]pyridazin-3-one
SMILESC=C(C)COCCNc1cnn(-c2ccc(Cl)cc2Cl)c(=O)c1Cl
InChIInChI=1S/C16H16Cl3N3O2/c1-10(2)9-24-6-5-20-13-8-21-22(16(23)15(13)19)14-4-3-11(17)7-12(14)18/h3-4,7-8,20H,1,5-6,9H2,2H3
InChIKeyKOXRBHGKRCTCLX-UHFFFAOYSA-N
XLogP4.20
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.68
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-(3-chloro-4-methylphenyl)-5-[2-(2-methylprop-2-enoxy)ethylamino]pyridazin-3-one
CID 133366325
4-chloro-2-(2,4-dichlorophenyl)-5-(2-pyrazol-1-ylethylamino)pyridazin-3-one
CID 133280949
4-chloro-2-(2,4-dichlorophenyl)-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridazin-3-one
CID 133305928
4-chloro-1-N-[2-(2-methylprop-2-enoxy)ethyl]benzene-1,2-diamine
CID 114465194
4-chloro-2-[2-(2-methylprop-2-enoxy)ethylamino]benzonitrile
CID 113258178
4-chloro-2-(2,4-dichlorophenyl)-5-[(1-prop-2-enylpiperidin-4-yl)amino]pyridazin-3-one
CID 133320120
2-[2-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]ethoxy]acetamide
CID 106239358
2-(2,4-dichlorophenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 115699674
3-chloro-N'-[5-chloro-1-(2,4-dichlorophenyl)-6-oxopyridazin-4-yl]-N',2,2-trimethylpropanehydrazide
CID 2774919
4-bromo-5-[2-(2-methylprop-2-enoxy)ethylamino]-2-prop-2-enylpyridazin-3-one
CID 114468718
4-chloro-2-propan-2-yl-5-(2-prop-2-enoxyethylamino)pyridazin-3-one
CID 114264802
4-chloro-5-[2-(3,4-difluorophenoxy)ethylamino]-2-methylpyridazin-3-one
CID 133291718

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,4-dichlorophenyl)-5-[2-(2-methylprop-2-enoxy)ethylamino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-(2,4-dichlorophenyl)-5-[2-(2-methylprop-2-enoxy)ethylamino]pyridazin-3-one (CID 133366350) is 4-chloro-2-(2,4-dichlorophenyl)-5-[2-(2-methylprop-2-enoxy)ethylamino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(2,4-dichlorophenyl)-5-[2-(2-methylprop-2-enoxy)ethylamino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(2,4-dichlorophenyl)-5-[2-(2-methylprop-2-enoxy)ethylamino]pyridazin-3-one is C=C(C)COCCNc1cnn(-c2ccc(Cl)cc2Cl)c(=O)c1Cl.
What is the InChIKey of 4-chloro-2-(2,4-dichlorophenyl)-5-[2-(2-methylprop-2-enoxy)ethylamino]pyridazin-3-one?
The InChIKey is KOXRBHGKRCTCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl3N3O2/c1-10(2)9-24-6-5-20-13-8-21-22(16(23)15(13)19)14-4-3-11(17)7-12(14)18/h3-4,7-8,20H,1,5-6,9H2,2H3.
What are the key properties of 4-chloro-2-(2,4-dichlorophenyl)-5-[2-(2-methylprop-2-enoxy)ethylamino]pyridazin-3-one?
4-chloro-2-(2,4-dichlorophenyl)-5-[2-(2-methylprop-2-enoxy)ethylamino]pyridazin-3-one has a molecular weight of 388.68 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,4-dichlorophenyl)-5-[2-(2-methylprop-2-enoxy)ethylamino]pyridazin-3-one is sourced from PubChem (CID 133366350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).