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

C19H17ClN4O2 — CID 110338812

IUPAC5-chloro-4-[(2E)-2-[[4-[(2-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one
SMILESCc1ccccc1COc1ccc(/C=N/Nc2cn[nH]c(=O)c2Cl)cc1
InChIInChI=1S/C19H17ClN4O2/c1-13-4-2-3-5-15(13)12-26-16-8-6-14(7-9-16)10-21-23-17-11-22-24-19(25)18(17)20/h2-11H,12H2,1H3,(H2,23,24,25)/b21-10+
InChIKeyVLNVDXYTQBVRKA-UFFVCSGVSA-N
MW368.82 g/mol
LogP3.76
Rot. Bonds6

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

5-chloro-4-[(2E)-2-[[4-[(2-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one (PubChem CID 110338812) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is 5-chloro-4-[(2E)-2-[[4-[(2-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(2E)-2-[[4-[(2-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one
PubChem CID110338812
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC Name5-chloro-4-[(2E)-2-[[4-[(2-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one
SMILESCc1ccccc1COc1ccc(/C=N/Nc2cn[nH]c(=O)c2Cl)cc1
InChIInChI=1S/C19H17ClN4O2/c1-13-4-2-3-5-15(13)12-26-16-8-6-14(7-9-16)10-21-23-17-11-22-24-19(25)18(17)20/h2-11H,12H2,1H3,(H2,23,24,25)/b21-10+
InChIKeyVLNVDXYTQBVRKA-UFFVCSGVSA-N
XLogP3.76
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 53.76
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-[(2E)-2-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 110338972
5-chloro-4-[(2Z)-2-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 112538073
5-chloro-4-[(2Z)-2-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 112538095
4-[2-[(4-tert-butylphenyl)methylidene]hydrazinyl]-5-chloro-1H-pyridazin-6-one
CID 7200267
5-chloro-4-[2-[(4-propan-2-ylphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 2790384
5-chloro-4-[(2E)-2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 110338557
5-chloro-4-[(2E)-2-[[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 110340730
methyl 4-[(E)-[(5-chloro-6-oxo-1H-pyridazin-4-yl)hydrazinylidene]methyl]benzoate
CID 110337939
5-chloro-4-[2-[(3-methylphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 2790382
5-chloro-4-[(2Z)-2-[(3-chloro-4-ethoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 110509803
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-[(2E)-2-[[4-[(2-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[(2E)-2-[[4-[(2-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one (CID 110338812) is 5-chloro-4-[(2E)-2-[[4-[(2-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[(2E)-2-[[4-[(2-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[(2E)-2-[[4-[(2-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one is Cc1ccccc1COc1ccc(/C=N/Nc2cn[nH]c(=O)c2Cl)cc1.
What is the InChIKey of 5-chloro-4-[(2E)-2-[[4-[(2-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one?
The InChIKey is VLNVDXYTQBVRKA-UFFVCSGVSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-13-4-2-3-5-15(13)12-26-16-8-6-14(7-9-16)10-21-23-17-11-22-24-19(25)18(17)20/h2-11H,12H2,1H3,(H2,23,24,25)/b21-10+.
What are the key properties of 5-chloro-4-[(2E)-2-[[4-[(2-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one?
5-chloro-4-[(2E)-2-[[4-[(2-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one has a molecular weight of 368.82 g/mol, XLogP of 3.76, 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-[[4-[(2-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one is sourced from PubChem (CID 110338812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).