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

C11H9N3O3 — CID 54697709

IUPAC4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESNC(=O)c1nn(-c2ccccc2)c(=O)cc1O
InChIInChI=1S/C11H9N3O3/c12-11(17)10-8(15)6-9(16)14(13-10)7-4-2-1-3-5-7/h1-6,15H,(H2,12,17)
InChIKeyAIINGFYSVHNOOZ-UHFFFAOYSA-N
MW231.21 g/mol
LogP0.04
Rot. Bonds2

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

4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxamide (PubChem CID 54697709) has the molecular formula C11H9N3O3 and a molecular weight of 231.21 g/mol. Its IUPAC name is 4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxamide
PubChem CID54697709
Molecular FormulaC11H9N3O3
Molecular Weight231.21 g/mol
Exact Mass231.06
IUPAC Name4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESNC(=O)c1nn(-c2ccccc2)c(=O)cc1O
InChIInChI=1S/C11H9N3O3/c12-11(17)10-8(15)6-9(16)14(13-10)7-4-2-1-3-5-7/h1-6,15H,(H2,12,17)
InChIKeyAIINGFYSVHNOOZ-UHFFFAOYSA-N
XLogP0.04
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxamide?
The IUPAC name of 4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxamide (CID 54697709) is 4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for 4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for 4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxamide is NC(=O)c1nn(-c2ccccc2)c(=O)cc1O.
What is the InChIKey of 4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxamide?
The InChIKey is AIINGFYSVHNOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3/c12-11(17)10-8(15)6-9(16)14(13-10)7-4-2-1-3-5-7/h1-6,15H,(H2,12,17).
What are the key properties of 4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxamide?
4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxamide has a molecular weight of 231.21 g/mol, XLogP of 0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 54697709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).