5-chloro-4-[(2Z)-2-[(3,5-dichloro-4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one

C14H13Cl3N4O2 — CID 110509805

IUPAC5-chloro-4-[(2Z)-2-[(3,5-dichloro-4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
SMILESCC(C)Oc1c(Cl)cc(/C=N\Nc2cn[nH]c(=O)c2Cl)cc1Cl
InChIInChI=1S/C14H13Cl3N4O2/c1-7(2)23-13-9(15)3-8(4-10(13)16)5-18-20-11-6-19-21-14(22)12(11)17/h3-7H,1-2H3,(H2,20,21,22)/b18-5-
InChIKeyUFKFRPTXGUFGNV-DVZOWYKESA-N
MW375.64 g/mol
LogP3.96
Rot. Bonds5

About 5-chloro-4-[(2Z)-2-[(3,5-dichloro-4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one

5-chloro-4-[(2Z)-2-[(3,5-dichloro-4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one (PubChem CID 110509805) has the molecular formula C14H13Cl3N4O2 and a molecular weight of 375.64 g/mol. Its IUPAC name is 5-chloro-4-[(2Z)-2-[(3,5-dichloro-4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(2Z)-2-[(3,5-dichloro-4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
PubChem CID110509805
Molecular FormulaC14H13Cl3N4O2
Molecular Weight375.64 g/mol
Exact Mass374.01
IUPAC Name5-chloro-4-[(2Z)-2-[(3,5-dichloro-4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
SMILESCC(C)Oc1c(Cl)cc(/C=N\Nc2cn[nH]c(=O)c2Cl)cc1Cl
InChIInChI=1S/C14H13Cl3N4O2/c1-7(2)23-13-9(15)3-8(4-10(13)16)5-18-20-11-6-19-21-14(22)12(11)17/h3-7H,1-2H3,(H2,20,21,22)/b18-5-
InChIKeyUFKFRPTXGUFGNV-DVZOWYKESA-N
XLogP3.96
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.64
LogP ≤ 53.96
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-methoxy-5-nitro-4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 110509782
5-chloro-4-[(2E)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 135689805
5-chloro-4-[2-[(4-propan-2-ylphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 2790384
5-chloro-4-[(2Z)-2-[(3-chloro-4-ethoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 110509803
5-chloro-4-[(2Z)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 135704566
5-chloro-4-[2-[(3-methylphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 2790382
4-[2-[(4-tert-butylphenyl)methylidene]hydrazinyl]-5-chloro-1H-pyridazin-6-one
CID 7200267
methyl 4-[(E)-[(5-chloro-6-oxo-1H-pyridazin-4-yl)hydrazinylidene]methyl]benzoate
CID 110337939
5-chloro-4-[(2E)-2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 135689804
5-chloro-4-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 7745615
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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(2Z)-2-[(3,5-dichloro-4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[(2Z)-2-[(3,5-dichloro-4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one (CID 110509805) is 5-chloro-4-[(2Z)-2-[(3,5-dichloro-4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[(2Z)-2-[(3,5-dichloro-4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[(2Z)-2-[(3,5-dichloro-4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one is CC(C)Oc1c(Cl)cc(/C=N\Nc2cn[nH]c(=O)c2Cl)cc1Cl.
What is the InChIKey of 5-chloro-4-[(2Z)-2-[(3,5-dichloro-4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
The InChIKey is UFKFRPTXGUFGNV-DVZOWYKESA-N. The full InChI is InChI=1S/C14H13Cl3N4O2/c1-7(2)23-13-9(15)3-8(4-10(13)16)5-18-20-11-6-19-21-14(22)12(11)17/h3-7H,1-2H3,(H2,20,21,22)/b18-5-.
What are the key properties of 5-chloro-4-[(2Z)-2-[(3,5-dichloro-4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
5-chloro-4-[(2Z)-2-[(3,5-dichloro-4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one has a molecular weight of 375.64 g/mol, XLogP of 3.96, 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-[(3,5-dichloro-4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one is sourced from PubChem (CID 110509805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).