5-chloro-4-[(2Z)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one

C12H11ClN4O2 — CID 6243264

IUPAC5-chloro-4-[(2Z)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
SMILESCOc1ccccc1/C=N\Nc1cn[nH]c(=O)c1Cl
InChIInChI=1S/C12H11ClN4O2/c1-19-10-5-3-2-4-8(10)6-14-16-9-7-15-17-12(18)11(9)13/h2-7H,1H3,(H2,16,17,18)/b14-6-
InChIKeyGCPRUEPCLFXJOD-NSIKDUERSA-N
MW278.70 g/mol
LogP1.88
Rot. Bonds4

About 5-chloro-4-[(2Z)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one

5-chloro-4-[(2Z)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one (PubChem CID 6243264) has the molecular formula C12H11ClN4O2 and a molecular weight of 278.70 g/mol. Its IUPAC name is 5-chloro-4-[(2Z)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(2Z)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
PubChem CID6243264
Molecular FormulaC12H11ClN4O2
Molecular Weight278.70 g/mol
Exact Mass278.06
IUPAC Name5-chloro-4-[(2Z)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
SMILESCOc1ccccc1/C=N\Nc1cn[nH]c(=O)c1Cl
InChIInChI=1S/C12H11ClN4O2/c1-19-10-5-3-2-4-8(10)6-14-16-9-7-15-17-12(18)11(9)13/h2-7H,1H3,(H2,16,17,18)/b14-6-
InChIKeyGCPRUEPCLFXJOD-NSIKDUERSA-N
XLogP1.88
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide
CID 5725722
3-[(E)-2-(2-methoxyphenyl)ethenyl]-1H-pyridazin-6-one
CID 70438810
N-[(E)-(2-methoxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide
CID 6868939
4-Methoxybenzaldehyde (5-chloro-6-oxo-1,6-dihydropyridazin-4-yl)hydrazone
CID 9582688
2-[2-[(2-methoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135454028
N'-(4-Methoxybenzylidene)acetohydrazide
CID 9665420
N,N'-bis[(2-methoxyphenyl)methylideneamino]oxamide
CID 243467
N-[(2,5-dimethoxyphenyl)methylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide
CID 949005
1-Methyl-6-oxo-1,6-dihydro-pyridine-3-carboxylic acid [3-(2-methoxy-phenyl)-allylidene]-hydrazide
CID 9593095
(Z)-2-benzyl-4-chloro-5-(2-(2-ethoxybenzylidene)hydrazinyl)pyridazin-3(2H)-one
CID 16448838
N'-[(Z)-(2-{[(2E)-3-phenylprop-2-en-1-yl]oxy}phenyl)methylidene]acetohydrazide
CID 25237177
2-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-6-methyl-1H-pyrimidin-4-one
CID 135443075

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(2Z)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[(2Z)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one (CID 6243264) is 5-chloro-4-[(2Z)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[(2Z)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[(2Z)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one is COc1ccccc1/C=N\Nc1cn[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-[(2Z)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
The InChIKey is GCPRUEPCLFXJOD-NSIKDUERSA-N. The full InChI is InChI=1S/C12H11ClN4O2/c1-19-10-5-3-2-4-8(10)6-14-16-9-7-15-17-12(18)11(9)13/h2-7H,1H3,(H2,16,17,18)/b14-6-.
What are the key properties of 5-chloro-4-[(2Z)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
5-chloro-4-[(2Z)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one has a molecular weight of 278.70 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(2Z)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one is sourced from PubChem (CID 6243264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).