5-chloro-4-[(2E)-2-[[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one

C18H13Cl3N4O2 — CID 110340730

IUPAC5-chloro-4-[(2E)-2-[[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N/N=C/c2cccc(OCc3c(Cl)cccc3Cl)c2)c1Cl
InChIInChI=1S/C18H13Cl3N4O2/c19-14-5-2-6-15(20)13(14)10-27-12-4-1-3-11(7-12)8-22-24-16-9-23-25-18(26)17(16)21/h1-9H,10H2,(H2,24,25,26)/b22-8+
InChIKeyMZOVFGJDNWOIFU-GZIVZEMBSA-N
MW423.69 g/mol
LogP4.76
Rot. Bonds6

About 5-chloro-4-[(2E)-2-[[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one

5-chloro-4-[(2E)-2-[[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one (PubChem CID 110340730) has the molecular formula C18H13Cl3N4O2 and a molecular weight of 423.69 g/mol. Its IUPAC name is 5-chloro-4-[(2E)-2-[[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(2E)-2-[[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one
PubChem CID110340730
Molecular FormulaC18H13Cl3N4O2
Molecular Weight423.69 g/mol
Exact Mass422.01
IUPAC Name5-chloro-4-[(2E)-2-[[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N/N=C/c2cccc(OCc3c(Cl)cccc3Cl)c2)c1Cl
InChIInChI=1S/C18H13Cl3N4O2/c19-14-5-2-6-15(20)13(14)10-27-12-4-1-3-11(7-12)8-22-24-16-9-23-25-18(26)17(16)21/h1-9H,10H2,(H2,24,25,26)/b22-8+
InChIKeyMZOVFGJDNWOIFU-GZIVZEMBSA-N
XLogP4.76
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.69
LogP ≤ 54.76
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

5-chloro-4-[(2Z)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 6247441
5-chloro-4-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 2790376
5-chloro-4-[2-[(3-methylphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 2790382
5-chloro-4-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 7745615
5-chloro-4-[(2Z)-2-[(3-chloro-4-ethoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 110509803
5-chloro-4-[(2E)-2-[[4-[(2-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 110338812
5-chloro-4-[(2Z)-2-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 112538073
[(E)-[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]urea
CID 110340726
5-chloro-4-[(2E)-2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 110338557
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
5-chloro-4-[(2E)-2-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 110338972

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(2E)-2-[[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[(2E)-2-[[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one (CID 110340730) is 5-chloro-4-[(2E)-2-[[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[(2E)-2-[[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[(2E)-2-[[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one is O=c1[nH]ncc(N/N=C/c2cccc(OCc3c(Cl)cccc3Cl)c2)c1Cl.
What is the InChIKey of 5-chloro-4-[(2E)-2-[[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one?
The InChIKey is MZOVFGJDNWOIFU-GZIVZEMBSA-N. The full InChI is InChI=1S/C18H13Cl3N4O2/c19-14-5-2-6-15(20)13(14)10-27-12-4-1-3-11(7-12)8-22-24-16-9-23-25-18(26)17(16)21/h1-9H,10H2,(H2,24,25,26)/b22-8+.
What are the key properties of 5-chloro-4-[(2E)-2-[[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one?
5-chloro-4-[(2E)-2-[[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one has a molecular weight of 423.69 g/mol, XLogP of 4.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(2E)-2-[[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one is sourced from PubChem (CID 110340730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).