3-chloro-N'-[5-chloro-1-(2,4-dichlorophenyl)-6-oxopyridazin-4-yl]-N',2,2-trimethylpropanehydrazide

C16H16Cl4N4O2 — CID 2774919

IUPAC3-chloro-N'-[5-chloro-1-(2,4-dichlorophenyl)-6-oxopyridazin-4-yl]-N',2,2-trimethylpropanehydrazide
SMILESCN(NC(=O)C(C)(C)CCl)c1cnn(-c2ccc(Cl)cc2Cl)c(=O)c1Cl
InChIInChI=1S/C16H16Cl4N4O2/c1-16(2,8-17)15(26)22-23(3)12-7-21-24(14(25)13(12)20)11-5-4-9(18)6-10(11)19/h4-7H,8H2,1-3H3,(H,22,26)
InChIKeyTYAZBYMWMQDEBW-UHFFFAOYSA-N
MW438.14 g/mol
LogP3.93
Rot. Bonds5

About 3-chloro-N'-[5-chloro-1-(2,4-dichlorophenyl)-6-oxopyridazin-4-yl]-N',2,2-trimethylpropanehydrazide

3-chloro-N'-[5-chloro-1-(2,4-dichlorophenyl)-6-oxopyridazin-4-yl]-N',2,2-trimethylpropanehydrazide (PubChem CID 2774919) has the molecular formula C16H16Cl4N4O2 and a molecular weight of 438.14 g/mol. Its IUPAC name is 3-chloro-N'-[5-chloro-1-(2,4-dichlorophenyl)-6-oxopyridazin-4-yl]-N',2,2-trimethylpropanehydrazide.

Molecular Properties

Compound Name3-chloro-N'-[5-chloro-1-(2,4-dichlorophenyl)-6-oxopyridazin-4-yl]-N',2,2-trimethylpropanehydrazide
PubChem CID2774919
Molecular FormulaC16H16Cl4N4O2
Molecular Weight438.14 g/mol
Exact Mass436.00
IUPAC Name3-chloro-N'-[5-chloro-1-(2,4-dichlorophenyl)-6-oxopyridazin-4-yl]-N',2,2-trimethylpropanehydrazide
SMILESCN(NC(=O)C(C)(C)CCl)c1cnn(-c2ccc(Cl)cc2Cl)c(=O)c1Cl
InChIInChI=1S/C16H16Cl4N4O2/c1-16(2,8-17)15(26)22-23(3)12-7-21-24(14(25)13(12)20)11-5-4-9(18)6-10(11)19/h4-7H,8H2,1-3H3,(H,22,26)
InChIKeyTYAZBYMWMQDEBW-UHFFFAOYSA-N
XLogP3.93
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.14
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N'-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)-N',2,2-trimethylpropanehydrazide
CID 2774918
4-chloro-2-(2,4-dichlorophenyl)-5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridazin-3-one
CID 133274845
4-chloro-2-(2,4-dichlorophenyl)-5-[2-(2-methylprop-2-enoxy)ethylamino]pyridazin-3-one
CID 133366350
2-[[5-chloro-1-(2,4-difluorophenyl)-6-oxopyridazin-4-yl]-methylamino]-N,N-dimethylacetamide
CID 55831832
4-chloro-2-(2,4-dichlorophenyl)-5-(2-pyrazol-1-ylethylamino)pyridazin-3-one
CID 133280949
4-chloro-2-(2,4-dichlorophenyl)-5-(4-oxopiperidin-1-yl)pyridazin-3-one
CID 3714524
4-chloro-2-(2,4-dichlorophenyl)-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridazin-3-one
CID 133305928
4-chloro-2-(4-chlorophenyl)-5-[2-hydroxyethyl(methyl)amino]pyridazin-3-one
CID 133381459
4-chloro-2-(2,4-dichlorophenyl)-5-[(1-prop-2-enylpiperidin-4-yl)amino]pyridazin-3-one
CID 133320120
3-chloro-2,2-dimethyl-N-(2,4,6-trichlorophenyl)propanamide
CID 63679954
4-[[5-chloro-1-(2,4-difluorophenyl)-6-oxopyridazin-4-yl]amino]-4-methylpentanoic acid
CID 122059167
5-(4-but-3-ynylpiperazin-1-yl)-4-chloro-2-(2,4-dichlorophenyl)pyridazin-3-one
CID 133453778

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-[5-chloro-1-(2,4-dichlorophenyl)-6-oxopyridazin-4-yl]-N',2,2-trimethylpropanehydrazide?
The IUPAC name of 3-chloro-N'-[5-chloro-1-(2,4-dichlorophenyl)-6-oxopyridazin-4-yl]-N',2,2-trimethylpropanehydrazide (CID 2774919) is 3-chloro-N'-[5-chloro-1-(2,4-dichlorophenyl)-6-oxopyridazin-4-yl]-N',2,2-trimethylpropanehydrazide.
What is the SMILES notation for 3-chloro-N'-[5-chloro-1-(2,4-dichlorophenyl)-6-oxopyridazin-4-yl]-N',2,2-trimethylpropanehydrazide?
The canonical SMILES for 3-chloro-N'-[5-chloro-1-(2,4-dichlorophenyl)-6-oxopyridazin-4-yl]-N',2,2-trimethylpropanehydrazide is CN(NC(=O)C(C)(C)CCl)c1cnn(-c2ccc(Cl)cc2Cl)c(=O)c1Cl.
What is the InChIKey of 3-chloro-N'-[5-chloro-1-(2,4-dichlorophenyl)-6-oxopyridazin-4-yl]-N',2,2-trimethylpropanehydrazide?
The InChIKey is TYAZBYMWMQDEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl4N4O2/c1-16(2,8-17)15(26)22-23(3)12-7-21-24(14(25)13(12)20)11-5-4-9(18)6-10(11)19/h4-7H,8H2,1-3H3,(H,22,26).
What are the key properties of 3-chloro-N'-[5-chloro-1-(2,4-dichlorophenyl)-6-oxopyridazin-4-yl]-N',2,2-trimethylpropanehydrazide?
3-chloro-N'-[5-chloro-1-(2,4-dichlorophenyl)-6-oxopyridazin-4-yl]-N',2,2-trimethylpropanehydrazide has a molecular weight of 438.14 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-[5-chloro-1-(2,4-dichlorophenyl)-6-oxopyridazin-4-yl]-N',2,2-trimethylpropanehydrazide is sourced from PubChem (CID 2774919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).