4-chloro-5-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-methylpyridazin-3-one

C13H13ClN4O3 — CID 136787497

IUPAC4-chloro-5-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-methylpyridazin-3-one
SMILESCOc1cc(/C=N\Nc2cnn(C)c(=O)c2Cl)ccc1O
InChIInChI=1S/C13H13ClN4O3/c1-18-13(20)12(14)9(7-16-18)17-15-6-8-3-4-10(19)11(5-8)21-2/h3-7,17,19H,1-2H3/b15-6-
InChIKeyIJOJKBRXLGNUBU-UUASQNMZSA-N
MW308.73 g/mol
LogP1.59
Rot. Bonds4

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

4-chloro-5-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-methylpyridazin-3-one (PubChem CID 136787497) has the molecular formula C13H13ClN4O3 and a molecular weight of 308.73 g/mol. Its IUPAC name is 4-chloro-5-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-methylpyridazin-3-one
PubChem CID136787497
Molecular FormulaC13H13ClN4O3
Molecular Weight308.73 g/mol
Exact Mass308.07
IUPAC Name4-chloro-5-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-methylpyridazin-3-one
SMILESCOc1cc(/C=N\Nc2cnn(C)c(=O)c2Cl)ccc1O
InChIInChI=1S/C13H13ClN4O3/c1-18-13(20)12(14)9(7-16-18)17-15-6-8-3-4-10(19)11(5-8)21-2/h3-7,17,19H,1-2H3/b15-6-
InChIKeyIJOJKBRXLGNUBU-UUASQNMZSA-N
XLogP1.59
TPSA88.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.73
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-5-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one
CID 136732809
5-[(2Z)-2-[(3-bromo-4-hydroxyphenyl)methylidene]hydrazinyl]-4-chloro-2-methylpyridazin-3-one
CID 136787482
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-hydroxyphenyl)methylidene]hydrazinyl]-2-(4-methoxyphenyl)pyridazin-3-one
CID 136787528
5-[(2Z)-2-[(3-bromo-4-ethoxyphenyl)methylidene]hydrazinyl]-4-chloro-2-methylpyridazin-3-one
CID 110512437
4-chloro-2-methyl-5-[(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]pyridazin-3-one
CID 110512440
4-chloro-5-[(2Z)-2-[(4-methoxy-3-propan-2-yloxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one
CID 110512592
4-chloro-5-[(2Z)-2-[(3,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one
CID 136787504
3-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 136859969
2-methoxy-4-[(Z)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 136853833
2-benzyl-5-[(2Z)-2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]hydrazinyl]-4-chloropyridazin-3-one
CID 135704539
2-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 136910758

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-methylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-methylpyridazin-3-one (CID 136787497) is 4-chloro-5-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-methylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-methylpyridazin-3-one is COc1cc(/C=N\Nc2cnn(C)c(=O)c2Cl)ccc1O.
What is the InChIKey of 4-chloro-5-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-methylpyridazin-3-one?
The InChIKey is IJOJKBRXLGNUBU-UUASQNMZSA-N. The full InChI is InChI=1S/C13H13ClN4O3/c1-18-13(20)12(14)9(7-16-18)17-15-6-8-3-4-10(19)11(5-8)21-2/h3-7,17,19H,1-2H3/b15-6-.
What are the key properties of 4-chloro-5-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-methylpyridazin-3-one?
4-chloro-5-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-methylpyridazin-3-one has a molecular weight of 308.73 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-methylpyridazin-3-one is sourced from PubChem (CID 136787497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).