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

C14H15ClN4O3 — CID 112538082

IUPAC5-chloro-4-[(2Z)-2-[(2-ethoxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
SMILESCCOc1c(/C=N\Nc2cn[nH]c(=O)c2Cl)cccc1OC
InChIInChI=1S/C14H15ClN4O3/c1-3-22-13-9(5-4-6-11(13)21-2)7-16-18-10-8-17-19-14(20)12(10)15/h4-8H,3H2,1-2H3,(H2,18,19,20)/b16-7-
InChIKeyGEGGMTNNCIJLDF-APSNUPSMSA-N
MW322.75 g/mol
LogP2.28
Rot. Bonds6

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

5-chloro-4-[(2Z)-2-[(2-ethoxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one (PubChem CID 112538082) has the molecular formula C14H15ClN4O3 and a molecular weight of 322.75 g/mol. Its IUPAC name is 5-chloro-4-[(2Z)-2-[(2-ethoxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(2Z)-2-[(2-ethoxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
PubChem CID112538082
Molecular FormulaC14H15ClN4O3
Molecular Weight322.75 g/mol
Exact Mass322.08
IUPAC Name5-chloro-4-[(2Z)-2-[(2-ethoxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
SMILESCCOc1c(/C=N\Nc2cn[nH]c(=O)c2Cl)cccc1OC
InChIInChI=1S/C14H15ClN4O3/c1-3-22-13-9(5-4-6-11(13)21-2)7-16-18-10-8-17-19-14(20)12(10)15/h4-8H,3H2,1-2H3,(H2,18,19,20)/b16-7-
InChIKeyGEGGMTNNCIJLDF-APSNUPSMSA-N
XLogP2.28
TPSA88.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.75
LogP ≤ 52.28
H-Bond Donors ≤ 52
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'}

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Related Compounds

5-chloro-4-[(2Z)-2-[(3-methoxy-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 110509757
5-chloro-4-[(2Z)-2-[(3-ethoxy-2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 136786987
4-chloro-5-[(2Z)-2-[(2-ethoxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one
CID 112538298
4-chloro-5-[(2E)-2-[(2-ethoxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one
CID 110339288
5-chloro-4-[(2Z)-2-[(2-chloro-3-hydroxy-4-methoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 110509828
5-chloro-4-[(2E)-2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 110338557
5-chloro-4-[(2Z)-2-[(3-chloro-4-ethoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 110509803
5-bromo-4-[(2Z)-2-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 42558341
5-chloro-4-[(2Z)-2-[(2,4-diethoxy-5-nitrophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 110509824
5-chloro-4-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 2790362
4-[(2Z)-2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-5-chloro-1H-pyridazin-6-one
CID 136926282
5-chloro-4-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 7745615

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(2Z)-2-[(2-ethoxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[(2Z)-2-[(2-ethoxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one (CID 112538082) is 5-chloro-4-[(2Z)-2-[(2-ethoxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[(2Z)-2-[(2-ethoxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[(2Z)-2-[(2-ethoxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one is CCOc1c(/C=N\Nc2cn[nH]c(=O)c2Cl)cccc1OC.
What is the InChIKey of 5-chloro-4-[(2Z)-2-[(2-ethoxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
The InChIKey is GEGGMTNNCIJLDF-APSNUPSMSA-N. The full InChI is InChI=1S/C14H15ClN4O3/c1-3-22-13-9(5-4-6-11(13)21-2)7-16-18-10-8-17-19-14(20)12(10)15/h4-8H,3H2,1-2H3,(H2,18,19,20)/b16-7-.
What are the key properties of 5-chloro-4-[(2Z)-2-[(2-ethoxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
5-chloro-4-[(2Z)-2-[(2-ethoxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one has a molecular weight of 322.75 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(2Z)-2-[(2-ethoxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one is sourced from PubChem (CID 112538082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).