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

C12H11ClN4O — CID 6394619

IUPAC5-chloro-4-[(2Z)-2-[(4-methylphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
SMILESCc1ccc(/C=N\Nc2cn[nH]c(=O)c2Cl)cc1
InChIInChI=1S/C12H11ClN4O/c1-8-2-4-9(5-3-8)6-14-16-10-7-15-17-12(18)11(10)13/h2-7H,1H3,(H2,16,17,18)/b14-6-
InChIKeyMVSNMQXIQQNOLO-NSIKDUERSA-N
MW262.70 g/mol
LogP2.18
Rot. Bonds3

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

5-chloro-4-[(2Z)-2-[(4-methylphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one (PubChem CID 6394619) has the molecular formula C12H11ClN4O and a molecular weight of 262.70 g/mol. Its IUPAC name is 5-chloro-4-[(2Z)-2-[(4-methylphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(2Z)-2-[(4-methylphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
PubChem CID6394619
Molecular FormulaC12H11ClN4O
Molecular Weight262.70 g/mol
Exact Mass262.06
IUPAC Name5-chloro-4-[(2Z)-2-[(4-methylphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
SMILESCc1ccc(/C=N\Nc2cn[nH]c(=O)c2Cl)cc1
InChIInChI=1S/C12H11ClN4O/c1-8-2-4-9(5-3-8)6-14-16-10-7-15-17-12(18)11(10)13/h2-7H,1H3,(H2,16,17,18)/b14-6-
InChIKeyMVSNMQXIQQNOLO-NSIKDUERSA-N
XLogP2.18
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

5-[((1E)-2-phenyl-1-azavinyl)amino]-4-chloro-2-hydropyridazin-3-one
CID 9569641
5-Phenylpyridazin-3(2H)-one
CID 12864815
5-{[(1Z)-2-(3-methylphenyl)-1-azavinyl]amino}-4-chloro-2-hydropyridazin-3-one
CID 5781448
6-oxo-N'-((1E)-phenylmethylidene)-1,6-dihydropyridazine-3-carbohydrazide
CID 6483743
4-chloro-5-(phenethylamino)pyridazin-3(2H)-one
CID 728310
N-[[(Z)-2-chloro-3-phenyl-prop-2-enylidene]amino]-2-(5-keto-3-pyrazolin-3-yl)acetamide
CID 6864559
4-Chloro-5-((3-phenylpropyl)amino)pyridazin-3(2h)-one
CID 8026192
N'-(4-methylbenzylidene)acetohydrazide
CID 9569621
Nsc409351
CID 5385733
(2E,4E)-N-[(E)-benzylideneamino]hexa-2,4-dienamide
CID 46838807
(E)-3-(4-methylphenyl)-N-[(E)-(4-methylphenyl)methylideneamino]prop-2-enamide
CID 145966954
(E)-N-[(E)-(4-methylphenyl)methylideneamino]-3-phenylprop-2-enamide
CID 145972398

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(2Z)-2-[(4-methylphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[(2Z)-2-[(4-methylphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one (CID 6394619) is 5-chloro-4-[(2Z)-2-[(4-methylphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[(2Z)-2-[(4-methylphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[(2Z)-2-[(4-methylphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one is Cc1ccc(/C=N\Nc2cn[nH]c(=O)c2Cl)cc1.
What is the InChIKey of 5-chloro-4-[(2Z)-2-[(4-methylphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
The InChIKey is MVSNMQXIQQNOLO-NSIKDUERSA-N. The full InChI is InChI=1S/C12H11ClN4O/c1-8-2-4-9(5-3-8)6-14-16-10-7-15-17-12(18)11(10)13/h2-7H,1H3,(H2,16,17,18)/b14-6-.
What are the key properties of 5-chloro-4-[(2Z)-2-[(4-methylphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
5-chloro-4-[(2Z)-2-[(4-methylphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one has a molecular weight of 262.70 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(2Z)-2-[(4-methylphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one is sourced from PubChem (CID 6394619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).