5-chloro-4-[(2Z)-2-[(3-chloro-4-ethoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one

C13H12Cl2N4O2 — CID 110509803

IUPAC5-chloro-4-[(2Z)-2-[(3-chloro-4-ethoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
SMILESCCOc1ccc(/C=N\Nc2cn[nH]c(=O)c2Cl)cc1Cl
InChIInChI=1S/C13H12Cl2N4O2/c1-2-21-11-4-3-8(5-9(11)14)6-16-18-10-7-17-19-13(20)12(10)15/h3-7H,2H2,1H3,(H2,18,19,20)/b16-6-
InChIKeyGRRJBTWQIXQXME-SOFYXZRVSA-N
MW327.17 g/mol
LogP2.92
Rot. Bonds5

About 5-chloro-4-[(2Z)-2-[(3-chloro-4-ethoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one

5-chloro-4-[(2Z)-2-[(3-chloro-4-ethoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one (PubChem CID 110509803) has the molecular formula C13H12Cl2N4O2 and a molecular weight of 327.17 g/mol. Its IUPAC name is 5-chloro-4-[(2Z)-2-[(3-chloro-4-ethoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(2Z)-2-[(3-chloro-4-ethoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
PubChem CID110509803
Molecular FormulaC13H12Cl2N4O2
Molecular Weight327.17 g/mol
Exact Mass326.03
IUPAC Name5-chloro-4-[(2Z)-2-[(3-chloro-4-ethoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
SMILESCCOc1ccc(/C=N\Nc2cn[nH]c(=O)c2Cl)cc1Cl
InChIInChI=1S/C13H12Cl2N4O2/c1-2-21-11-4-3-8(5-9(11)14)6-16-18-10-7-17-19-13(20)12(10)15/h3-7H,2H2,1H3,(H2,18,19,20)/b16-6-
InChIKeyGRRJBTWQIXQXME-SOFYXZRVSA-N
XLogP2.92
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 52.92
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'}

Analyze 5-chloro-4-[(2Z)-2-[(3-chloro-4-ethoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one with MolForge

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Related Compounds

5-chloro-4-[(2Z)-2-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 112538073
5-chloro-4-[(2E)-2-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 110338972
5-chloro-4-[(2Z)-2-[(3-ethoxy-2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 136786987
4-[2-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-5-chloro-1H-pyridazin-6-one
CID 2791389
5-chloro-4-[(2E)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 135689805
5-chloro-4-[2-[(3-methylphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 2790382
5-chloro-4-[(2Z)-2-[(2,4-diethoxy-5-nitrophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 110509824
5-chloro-4-[2-[(4-propan-2-ylphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 2790384
4-[2-[(4-tert-butylphenyl)methylidene]hydrazinyl]-5-chloro-1H-pyridazin-6-one
CID 7200267
5-chloro-4-[(2Z)-2-[(3,5-dichloro-4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 110509805
5-chloro-4-[(2E)-2-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 110340162
5-chloro-4-[(2Z)-2-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 112538095

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(2Z)-2-[(3-chloro-4-ethoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[(2Z)-2-[(3-chloro-4-ethoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one (CID 110509803) is 5-chloro-4-[(2Z)-2-[(3-chloro-4-ethoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[(2Z)-2-[(3-chloro-4-ethoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[(2Z)-2-[(3-chloro-4-ethoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one is CCOc1ccc(/C=N\Nc2cn[nH]c(=O)c2Cl)cc1Cl.
What is the InChIKey of 5-chloro-4-[(2Z)-2-[(3-chloro-4-ethoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
The InChIKey is GRRJBTWQIXQXME-SOFYXZRVSA-N. The full InChI is InChI=1S/C13H12Cl2N4O2/c1-2-21-11-4-3-8(5-9(11)14)6-16-18-10-7-17-19-13(20)12(10)15/h3-7H,2H2,1H3,(H2,18,19,20)/b16-6-.
What are the key properties of 5-chloro-4-[(2Z)-2-[(3-chloro-4-ethoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
5-chloro-4-[(2Z)-2-[(3-chloro-4-ethoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one has a molecular weight of 327.17 g/mol, XLogP of 2.92, 5 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-[(3-chloro-4-ethoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one is sourced from PubChem (CID 110509803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).