3-chloro-N'-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)-N',2,2-trimethylpropanehydrazide

C16H18Cl2N4O2 — CID 2774918

IUPAC3-chloro-N'-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)-N',2,2-trimethylpropanehydrazide
SMILESCN(NC(=O)C(C)(C)CCl)c1cnn(-c2ccccc2)c(=O)c1Cl
InChIInChI=1S/C16H18Cl2N4O2/c1-16(2,10-17)15(24)20-21(3)12-9-19-22(14(23)13(12)18)11-7-5-4-6-8-11/h4-9H,10H2,1-3H3,(H,20,24)
InChIKeyQQYLNYFPHILDTL-UHFFFAOYSA-N
MW369.25 g/mol
LogP2.62
Rot. Bonds5

About 3-chloro-N'-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)-N',2,2-trimethylpropanehydrazide

3-chloro-N'-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)-N',2,2-trimethylpropanehydrazide (PubChem CID 2774918) has the molecular formula C16H18Cl2N4O2 and a molecular weight of 369.25 g/mol. Its IUPAC name is 3-chloro-N'-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)-N',2,2-trimethylpropanehydrazide.

Molecular Properties

Compound Name3-chloro-N'-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)-N',2,2-trimethylpropanehydrazide
PubChem CID2774918
Molecular FormulaC16H18Cl2N4O2
Molecular Weight369.25 g/mol
Exact Mass368.08
IUPAC Name3-chloro-N'-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)-N',2,2-trimethylpropanehydrazide
SMILESCN(NC(=O)C(C)(C)CCl)c1cnn(-c2ccccc2)c(=O)c1Cl
InChIInChI=1S/C16H18Cl2N4O2/c1-16(2,10-17)15(24)20-21(3)12-9-19-22(14(23)13(12)18)11-7-5-4-6-8-11/h4-9H,10H2,1-3H3,(H,20,24)
InChIKeyQQYLNYFPHILDTL-UHFFFAOYSA-N
XLogP2.62
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.25
LogP ≤ 52.62
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-1-(2,4-dichlorophenyl)-6-oxopyridazin-4-yl]-N',2,2-trimethylpropanehydrazide
CID 2774919
4-chloro-5-[methyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-2-phenylpyridazin-3-one
CID 9172446
ethyl 5-[(3-chloro-2,2-dimethylpropanoyl)amino]-1-phenylpyrazole-4-carboxylate
CID 108761383
2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]acetamide
CID 8567196
4-chloro-5-[(4-hydroxy-2,2-dimethylbutyl)amino]-2-phenylpyridazin-3-one
CID 133332334
4-chloro-5-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylpyridazin-3-one
CID 9195137
ethyl 2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]acetate
CID 15152626
2-[[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]-propylamino]acetic acid
CID 122051508
4-chloro-5-[[2-(2-chlorophenyl)-2-hydroxypropyl]amino]-2-phenylpyridazin-3-one
CID 133472201
4-chloro-2-(4-chlorophenyl)-5-[2-hydroxyethyl(methyl)amino]pyridazin-3-one
CID 133381459
4-chloro-5-(N-ethyl-3-methylanilino)-2-phenylpyridazin-3-one
CID 50876167
2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 9195713

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)-N',2,2-trimethylpropanehydrazide?
The IUPAC name of 3-chloro-N'-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)-N',2,2-trimethylpropanehydrazide (CID 2774918) is 3-chloro-N'-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)-N',2,2-trimethylpropanehydrazide.
What is the SMILES notation for 3-chloro-N'-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)-N',2,2-trimethylpropanehydrazide?
The canonical SMILES for 3-chloro-N'-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)-N',2,2-trimethylpropanehydrazide is CN(NC(=O)C(C)(C)CCl)c1cnn(-c2ccccc2)c(=O)c1Cl.
What is the InChIKey of 3-chloro-N'-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)-N',2,2-trimethylpropanehydrazide?
The InChIKey is QQYLNYFPHILDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N4O2/c1-16(2,10-17)15(24)20-21(3)12-9-19-22(14(23)13(12)18)11-7-5-4-6-8-11/h4-9H,10H2,1-3H3,(H,20,24).
What are the key properties of 3-chloro-N'-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)-N',2,2-trimethylpropanehydrazide?
3-chloro-N'-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)-N',2,2-trimethylpropanehydrazide has a molecular weight of 369.25 g/mol, XLogP of 2.62, 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-6-oxo-1-phenylpyridazin-4-yl)-N',2,2-trimethylpropanehydrazide is sourced from PubChem (CID 2774918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).