5-[(2Z)-2-[(3-bromo-4-ethoxyphenyl)methylidene]hydrazinyl]-4-chloro-2-methylpyridazin-3-one

C14H14BrClN4O2 — CID 110512437

IUPAC5-[(2Z)-2-[(3-bromo-4-ethoxyphenyl)methylidene]hydrazinyl]-4-chloro-2-methylpyridazin-3-one
SMILESCCOc1ccc(/C=N\Nc2cnn(C)c(=O)c2Cl)cc1Br
InChIInChI=1S/C14H14BrClN4O2/c1-3-22-12-5-4-9(6-10(12)15)7-17-19-11-8-18-20(2)14(21)13(11)16/h4-8,19H,3H2,1-2H3/b17-7-
InChIKeyJPVZBUIZCVUNAK-IDUWFGFVSA-N
MW385.65 g/mol
LogP3.04
Rot. Bonds5

About 5-[(2Z)-2-[(3-bromo-4-ethoxyphenyl)methylidene]hydrazinyl]-4-chloro-2-methylpyridazin-3-one

5-[(2Z)-2-[(3-bromo-4-ethoxyphenyl)methylidene]hydrazinyl]-4-chloro-2-methylpyridazin-3-one (PubChem CID 110512437) has the molecular formula C14H14BrClN4O2 and a molecular weight of 385.65 g/mol. Its IUPAC name is 5-[(2Z)-2-[(3-bromo-4-ethoxyphenyl)methylidene]hydrazinyl]-4-chloro-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-[(2Z)-2-[(3-bromo-4-ethoxyphenyl)methylidene]hydrazinyl]-4-chloro-2-methylpyridazin-3-one
PubChem CID110512437
Molecular FormulaC14H14BrClN4O2
Molecular Weight385.65 g/mol
Exact Mass384.00
IUPAC Name5-[(2Z)-2-[(3-bromo-4-ethoxyphenyl)methylidene]hydrazinyl]-4-chloro-2-methylpyridazin-3-one
SMILESCCOc1ccc(/C=N\Nc2cnn(C)c(=O)c2Cl)cc1Br
InChIInChI=1S/C14H14BrClN4O2/c1-3-22-12-5-4-9(6-10(12)15)7-17-19-11-8-18-20(2)14(21)13(11)16/h4-8,19H,3H2,1-2H3/b17-7-
InChIKeyJPVZBUIZCVUNAK-IDUWFGFVSA-N
XLogP3.04
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.65
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-[(2Z)-2-[(3-bromo-4-ethoxyphenyl)methylidene]hydrazinyl]-4-chloro-2-methylpyridazin-3-one with MolForge

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Related Compounds

5-[(2Z)-2-[(3-bromo-4-hydroxyphenyl)methylidene]hydrazinyl]-4-chloro-2-methylpyridazin-3-one
CID 136787482
4-chloro-5-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-methylpyridazin-3-one
CID 136787497
4-chloro-5-[(2Z)-2-[(3,4-diethoxyphenyl)methylidene]hydrazinyl]-2-(4-methoxyphenyl)pyridazin-3-one
CID 110512634
5-chloro-4-[(2Z)-2-[(3-chloro-4-ethoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 110509803
3-[(2E)-2-[(3-bromo-4-ethoxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 136788960
4-chloro-2-methyl-5-[(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]pyridazin-3-one
CID 110512440
4-chloro-5-[(2Z)-2-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one
CID 136787505
4-chloro-5-[(2Z)-2-[(3-ethoxy-4-propoxyphenyl)methylidene]hydrazinyl]-2-(4-methoxyphenyl)pyridazin-3-one
CID 110512606
4-chloro-5-[(2Z)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-2-(4-methoxyphenyl)pyridazin-3-one
CID 136787528
5-[(2Z)-2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-4-chloro-2-methylpyridazin-3-one
CID 136787477
4-chloro-5-[(2Z)-2-[(3-ethoxy-4-methoxy-5-nitrophenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one
CID 110512559
5-chloro-4-[(2Z)-2-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 112538073

Frequently Asked Questions

What is the IUPAC name of 5-[(2Z)-2-[(3-bromo-4-ethoxyphenyl)methylidene]hydrazinyl]-4-chloro-2-methylpyridazin-3-one?
The IUPAC name of 5-[(2Z)-2-[(3-bromo-4-ethoxyphenyl)methylidene]hydrazinyl]-4-chloro-2-methylpyridazin-3-one (CID 110512437) is 5-[(2Z)-2-[(3-bromo-4-ethoxyphenyl)methylidene]hydrazinyl]-4-chloro-2-methylpyridazin-3-one.
What is the SMILES notation for 5-[(2Z)-2-[(3-bromo-4-ethoxyphenyl)methylidene]hydrazinyl]-4-chloro-2-methylpyridazin-3-one?
The canonical SMILES for 5-[(2Z)-2-[(3-bromo-4-ethoxyphenyl)methylidene]hydrazinyl]-4-chloro-2-methylpyridazin-3-one is CCOc1ccc(/C=N\Nc2cnn(C)c(=O)c2Cl)cc1Br.
What is the InChIKey of 5-[(2Z)-2-[(3-bromo-4-ethoxyphenyl)methylidene]hydrazinyl]-4-chloro-2-methylpyridazin-3-one?
The InChIKey is JPVZBUIZCVUNAK-IDUWFGFVSA-N. The full InChI is InChI=1S/C14H14BrClN4O2/c1-3-22-12-5-4-9(6-10(12)15)7-17-19-11-8-18-20(2)14(21)13(11)16/h4-8,19H,3H2,1-2H3/b17-7-.
What are the key properties of 5-[(2Z)-2-[(3-bromo-4-ethoxyphenyl)methylidene]hydrazinyl]-4-chloro-2-methylpyridazin-3-one?
5-[(2Z)-2-[(3-bromo-4-ethoxyphenyl)methylidene]hydrazinyl]-4-chloro-2-methylpyridazin-3-one has a molecular weight of 385.65 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2Z)-2-[(3-bromo-4-ethoxyphenyl)methylidene]hydrazinyl]-4-chloro-2-methylpyridazin-3-one is sourced from PubChem (CID 110512437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).