4-hydroxy-1-(4-methoxyphenyl)-6-oxopyridazine-3-carbohydrazide

C12H12N4O4 — CID 82421317

IUPAC4-hydroxy-1-(4-methoxyphenyl)-6-oxopyridazine-3-carbohydrazide
SMILESCOc1ccc(-n2nc(C(=O)NN)c(O)cc2=O)cc1
InChIInChI=1S/C12H12N4O4/c1-20-8-4-2-7(3-5-8)16-10(18)6-9(17)11(15-16)12(19)14-13/h2-6,17H,13H2,1H3,(H,14,19)
InChIKeyKJYOPOZYQNYHMH-UHFFFAOYSA-N
MW276.25 g/mol
LogP-0.45
Rot. Bonds3

About 4-hydroxy-1-(4-methoxyphenyl)-6-oxopyridazine-3-carbohydrazide

4-hydroxy-1-(4-methoxyphenyl)-6-oxopyridazine-3-carbohydrazide (PubChem CID 82421317) has the molecular formula C12H12N4O4 and a molecular weight of 276.25 g/mol. Its IUPAC name is 4-hydroxy-1-(4-methoxyphenyl)-6-oxopyridazine-3-carbohydrazide.

Molecular Properties

Compound Name4-hydroxy-1-(4-methoxyphenyl)-6-oxopyridazine-3-carbohydrazide
PubChem CID82421317
Molecular FormulaC12H12N4O4
Molecular Weight276.25 g/mol
Exact Mass276.09
IUPAC Name4-hydroxy-1-(4-methoxyphenyl)-6-oxopyridazine-3-carbohydrazide
SMILESCOc1ccc(-n2nc(C(=O)NN)c(O)cc2=O)cc1
InChIInChI=1S/C12H12N4O4/c1-20-8-4-2-7(3-5-8)16-10(18)6-9(17)11(15-16)12(19)14-13/h2-6,17H,13H2,1H3,(H,14,19)
InChIKeyKJYOPOZYQNYHMH-UHFFFAOYSA-N
XLogP-0.45
TPSA119.47 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethoxyphenyl)-4-hydroxy-6-oxopyridazine-3-carbohydrazide
CID 82420002
1-(4-butylphenyl)-4-hydroxy-6-oxopyridazine-3-carbohydrazide
CID 82420653
4-hydroxy-N-[2-(4-methoxyphenoxy)ethyl]-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 108785145
1-(4-bromophenyl)-4-hydroxy-6-oxo-N-propan-2-ylpyridazine-3-carboxamide
CID 108803932
1-(2,4-dimethylphenyl)-4-hydroxy-6-oxopyridazine-3-carbohydrazide
CID 82419192
2-(4-methoxyphenyl)-5-methyltriazole-4-carbohydrazide
CID 54858922
1-(4-ethoxyphenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide
CID 82420049
N-[(2R)-butan-2-yl]-6-methoxy-1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxamide
CID 95099138
ethyl 4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxylate
CID 54708408
ethyl 4-[[1-(4-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carbonyl]amino]benzoate
CID 108791374
1-(4-bromophenyl)-N-(3,5-dimethylphenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide
CID 108803882
ethyl 2-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]acetate
CID 108798587

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(4-methoxyphenyl)-6-oxopyridazine-3-carbohydrazide?
The IUPAC name of 4-hydroxy-1-(4-methoxyphenyl)-6-oxopyridazine-3-carbohydrazide (CID 82421317) is 4-hydroxy-1-(4-methoxyphenyl)-6-oxopyridazine-3-carbohydrazide.
What is the SMILES notation for 4-hydroxy-1-(4-methoxyphenyl)-6-oxopyridazine-3-carbohydrazide?
The canonical SMILES for 4-hydroxy-1-(4-methoxyphenyl)-6-oxopyridazine-3-carbohydrazide is COc1ccc(-n2nc(C(=O)NN)c(O)cc2=O)cc1.
What is the InChIKey of 4-hydroxy-1-(4-methoxyphenyl)-6-oxopyridazine-3-carbohydrazide?
The InChIKey is KJYOPOZYQNYHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O4/c1-20-8-4-2-7(3-5-8)16-10(18)6-9(17)11(15-16)12(19)14-13/h2-6,17H,13H2,1H3,(H,14,19).
What are the key properties of 4-hydroxy-1-(4-methoxyphenyl)-6-oxopyridazine-3-carbohydrazide?
4-hydroxy-1-(4-methoxyphenyl)-6-oxopyridazine-3-carbohydrazide has a molecular weight of 276.25 g/mol, XLogP of -0.45, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(4-methoxyphenyl)-6-oxopyridazine-3-carbohydrazide is sourced from PubChem (CID 82421317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).