4-hydroxy-6-oxo-1-phenylpyridazine-3-carbohydrazide

C11H10N4O3 — CID 54697212

IUPAC4-hydroxy-6-oxo-1-phenylpyridazine-3-carbohydrazide
SMILESNNC(=O)c1nn(-c2ccccc2)c(=O)cc1O
InChIInChI=1S/C11H10N4O3/c12-13-11(18)10-8(16)6-9(17)15(14-10)7-4-2-1-3-5-7/h1-6,16H,12H2,(H,13,18)
InChIKeyPWGASJXUHAREBZ-UHFFFAOYSA-N
MW246.23 g/mol
LogP-0.46
Rot. Bonds2

About 4-hydroxy-6-oxo-1-phenylpyridazine-3-carbohydrazide

4-hydroxy-6-oxo-1-phenylpyridazine-3-carbohydrazide (PubChem CID 54697212) has the molecular formula C11H10N4O3 and a molecular weight of 246.23 g/mol. Its IUPAC name is 4-hydroxy-6-oxo-1-phenylpyridazine-3-carbohydrazide.

Molecular Properties

Compound Name4-hydroxy-6-oxo-1-phenylpyridazine-3-carbohydrazide
PubChem CID54697212
Molecular FormulaC11H10N4O3
Molecular Weight246.23 g/mol
Exact Mass246.08
IUPAC Name4-hydroxy-6-oxo-1-phenylpyridazine-3-carbohydrazide
SMILESNNC(=O)c1nn(-c2ccccc2)c(=O)cc1O
InChIInChI=1S/C11H10N4O3/c12-13-11(18)10-8(16)6-9(17)15(14-10)7-4-2-1-3-5-7/h1-6,16H,12H2,(H,13,18)
InChIKeyPWGASJXUHAREBZ-UHFFFAOYSA-N
XLogP-0.46
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-oxo-1-phenylpyridazine-3-carbohydrazide?
The IUPAC name of 4-hydroxy-6-oxo-1-phenylpyridazine-3-carbohydrazide (CID 54697212) is 4-hydroxy-6-oxo-1-phenylpyridazine-3-carbohydrazide.
What is the SMILES notation for 4-hydroxy-6-oxo-1-phenylpyridazine-3-carbohydrazide?
The canonical SMILES for 4-hydroxy-6-oxo-1-phenylpyridazine-3-carbohydrazide is NNC(=O)c1nn(-c2ccccc2)c(=O)cc1O.
What is the InChIKey of 4-hydroxy-6-oxo-1-phenylpyridazine-3-carbohydrazide?
The InChIKey is PWGASJXUHAREBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3/c12-13-11(18)10-8(16)6-9(17)15(14-10)7-4-2-1-3-5-7/h1-6,16H,12H2,(H,13,18).
What are the key properties of 4-hydroxy-6-oxo-1-phenylpyridazine-3-carbohydrazide?
4-hydroxy-6-oxo-1-phenylpyridazine-3-carbohydrazide has a molecular weight of 246.23 g/mol, XLogP of -0.46, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-oxo-1-phenylpyridazine-3-carbohydrazide is sourced from PubChem (CID 54697212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).