3-[(6-oxo-1H-pyridazin-3-yl)amino]benzoic acid

C11H9N3O3 — CID 71521390

IUPAC3-[(6-oxo-1H-pyridazin-3-yl)amino]benzoic acid
SMILESO=C(O)c1cccc(Nc2ccc(=O)[nH]n2)c1
InChIInChI=1S/C11H9N3O3/c15-10-5-4-9(13-14-10)12-8-3-1-2-7(6-8)11(16)17/h1-6H,(H,12,13)(H,14,15)(H,16,17)
InChIKeyDHPINUOSLXRMRW-UHFFFAOYSA-N
MW231.21 g/mol
LogP1.21
Rot. Bonds3

About 3-[(6-oxo-1H-pyridazin-3-yl)amino]benzoic acid

3-[(6-oxo-1H-pyridazin-3-yl)amino]benzoic acid (PubChem CID 71521390) has the molecular formula C11H9N3O3 and a molecular weight of 231.21 g/mol. Its IUPAC name is 3-[(6-oxo-1H-pyridazin-3-yl)amino]benzoic acid.

Molecular Properties

Compound Name3-[(6-oxo-1H-pyridazin-3-yl)amino]benzoic acid
PubChem CID71521390
Molecular FormulaC11H9N3O3
Molecular Weight231.21 g/mol
Exact Mass231.06
IUPAC Name3-[(6-oxo-1H-pyridazin-3-yl)amino]benzoic acid
SMILESO=C(O)c1cccc(Nc2ccc(=O)[nH]n2)c1
InChIInChI=1S/C11H9N3O3/c15-10-5-4-9(13-14-10)12-8-3-1-2-7(6-8)11(16)17/h1-6H,(H,12,13)(H,14,15)(H,16,17)
InChIKeyDHPINUOSLXRMRW-UHFFFAOYSA-N
XLogP1.21
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]benzoic acid
CID 116786477
[3-[(6-oxo-1H-pyridazin-3-yl)amino]phenyl] acetate
CID 54767618
3-[[6-(3-bromoanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113193173
3-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)amino]benzoic acid
CID 146541131
3-[[6-(3-methoxyanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113193145
3-[(5-nitro-2-pyridinyl)amino]benzoic acid
CID 2858481
3-[(2-oxo-1H-pyrazin-3-yl)amino]benzoic acid
CID 114570420
3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzoic acid
CID 25219798
3-(1H-pyrazol-4-ylamino)benzoic acid
CID 115022807
3-[[6-(4-fluoroanilino)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113193456
1-(3-hydroxyphenyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
CID 108887192
3-[4-fluoro-3-(trifluoromethyl)anilino]-1H-pyridazin-6-one
CID 54765559

Frequently Asked Questions

What is the IUPAC name of 3-[(6-oxo-1H-pyridazin-3-yl)amino]benzoic acid?
The IUPAC name of 3-[(6-oxo-1H-pyridazin-3-yl)amino]benzoic acid (CID 71521390) is 3-[(6-oxo-1H-pyridazin-3-yl)amino]benzoic acid.
What is the SMILES notation for 3-[(6-oxo-1H-pyridazin-3-yl)amino]benzoic acid?
The canonical SMILES for 3-[(6-oxo-1H-pyridazin-3-yl)amino]benzoic acid is O=C(O)c1cccc(Nc2ccc(=O)[nH]n2)c1.
What is the InChIKey of 3-[(6-oxo-1H-pyridazin-3-yl)amino]benzoic acid?
The InChIKey is DHPINUOSLXRMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3/c15-10-5-4-9(13-14-10)12-8-3-1-2-7(6-8)11(16)17/h1-6H,(H,12,13)(H,14,15)(H,16,17).
What are the key properties of 3-[(6-oxo-1H-pyridazin-3-yl)amino]benzoic acid?
3-[(6-oxo-1H-pyridazin-3-yl)amino]benzoic acid has a molecular weight of 231.21 g/mol, XLogP of 1.21, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-oxo-1H-pyridazin-3-yl)amino]benzoic acid is sourced from PubChem (CID 71521390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).