5-chloro-4-[(2Z)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one

C11H9ClN4O3 — CID 135412278

IUPAC5-chloro-4-[(2Z)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N/N=C\c2ccc(O)cc2O)c1Cl
InChIInChI=1S/C11H9ClN4O3/c12-10-8(5-14-16-11(10)19)15-13-4-6-1-2-7(17)3-9(6)18/h1-5,17-18H,(H2,15,16,19)/b13-4-
InChIKeyFEYWOMLXNOVYFL-PQMHYQBVSA-N
MW280.67 g/mol
LogP1.28
Rot. Bonds3

About 5-chloro-4-[(2Z)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one

5-chloro-4-[(2Z)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one (PubChem CID 135412278) has the molecular formula C11H9ClN4O3 and a molecular weight of 280.67 g/mol. Its IUPAC name is 5-chloro-4-[(2Z)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(2Z)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
PubChem CID135412278
Molecular FormulaC11H9ClN4O3
Molecular Weight280.67 g/mol
Exact Mass280.04
IUPAC Name5-chloro-4-[(2Z)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N/N=C\c2ccc(O)cc2O)c1Cl
InChIInChI=1S/C11H9ClN4O3/c12-10-8(5-14-16-11(10)19)15-13-4-6-1-2-7(17)3-9(6)18/h1-5,17-18H,(H2,15,16,19)/b13-4-
InChIKeyFEYWOMLXNOVYFL-PQMHYQBVSA-N
XLogP1.28
TPSA110.60 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.67
LogP ≤ 51.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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'}

Analyze 5-chloro-4-[(2Z)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'~1~,N'~2~-bis(2,4-dihydroxybenzylidene)ethanedihydrazide
CID 135576680
N'-(2,4-dihydroxybenzylidene)cyclopropanecarbohydrazide
CID 135643065
N'-(2,4-Dihydroxybenzylidene)acetohydrazide
CID 135615765
N'-[(E)-(2-Hydroxyphenyl)methylidene]-6-oxo-1,6-dihydro-3-pyridazinecarbohydrazide
CID 135656379
N'-[(E)-(2,4,6-trihydroxyphenyl)methylideneamino]oxamide
CID 136167960
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]pentanamide
CID 135509649
Ethanedioic acid bis(((2,4-dihydroxyphenyl)methylene)hydrazide)
CID 243638
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide
CID 135452822
2-[(2E)-2-(2,4-dihydroxybenzylidene)hydrazinyl]-6-methylpyrimidin-4(3H)-one
CID 135458777
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N'-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]oxamide
CID 135504250
N'-(2,4-dihydroxybenzylidene)-1-methyl-6-oxo-1,6-dihydro-3-pyridinecarbohydrazide
CID 135458965
4-[(2Z)-2-[[2,4-bis(difluoromethoxy)phenyl]methylidene]hydrazinyl]-5-chloro-1H-pyridazin-6-one
CID 8173478

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(2Z)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[(2Z)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one (CID 135412278) is 5-chloro-4-[(2Z)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[(2Z)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[(2Z)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one is O=c1[nH]ncc(N/N=C\c2ccc(O)cc2O)c1Cl.
What is the InChIKey of 5-chloro-4-[(2Z)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
The InChIKey is FEYWOMLXNOVYFL-PQMHYQBVSA-N. The full InChI is InChI=1S/C11H9ClN4O3/c12-10-8(5-14-16-11(10)19)15-13-4-6-1-2-7(17)3-9(6)18/h1-5,17-18H,(H2,15,16,19)/b13-4-.
What are the key properties of 5-chloro-4-[(2Z)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
5-chloro-4-[(2Z)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one has a molecular weight of 280.67 g/mol, XLogP of 1.28, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(2Z)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one is sourced from PubChem (CID 135412278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).