3-(6-oxo-3-phenylpyridazin-1-yl)propanoic acid

C13H12N2O3 — CID 4086163

IUPAC3-(6-oxo-3-phenylpyridazin-1-yl)propanoic acid
SMILESO=C(O)CCn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C13H12N2O3/c16-12-7-6-11(10-4-2-1-3-5-10)14-15(12)9-8-13(17)18/h1-7H,8-9H2,(H,17,18)
InChIKeyNZUXPNSGLKNCQR-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.38
Rot. Bonds4

About 3-(6-oxo-3-phenylpyridazin-1-yl)propanoic acid

3-(6-oxo-3-phenylpyridazin-1-yl)propanoic acid (PubChem CID 4086163) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 3-(6-oxo-3-phenylpyridazin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(6-oxo-3-phenylpyridazin-1-yl)propanoic acid
PubChem CID4086163
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name3-(6-oxo-3-phenylpyridazin-1-yl)propanoic acid
SMILESO=C(O)CCn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C13H12N2O3/c16-12-7-6-11(10-4-2-1-3-5-10)14-15(12)9-8-13(17)18/h1-7H,8-9H2,(H,17,18)
InChIKeyNZUXPNSGLKNCQR-UHFFFAOYSA-N
XLogP1.38
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(3-methylphenyl)-6-oxopyridazin-1-yl]propanoic acid
CID 56770644
2-[4-(methylamino)butyl]-6-phenylpyridazin-3-one
CID 13103478
3-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]propanoic acid
CID 10784740
N-(4-methylphenyl)-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 91061296
2-[4-(4-acetylpiperazin-1-yl)-4-oxobutyl]-6-phenylpyridazin-3-one
CID 16884527
3-(6-oxo-3-phenylpyridazin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 51366020
N-[2-(4-chlorophenyl)ethyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 5156985
N-[2-(azepan-1-ium-1-yl)ethyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 3432245
2-(6-oxo-3-phenylpyridazin-1-yl)-N-propan-2-ylacetamide
CID 5057313
1-butyl-3-[3-(6-oxo-3-phenylpyridazin-1-yl)propyl]urea
CID 71317796
1-[6-(6-oxo-3-phenylpyridazin-1-yl)hexyl]-3-propylurea
CID 71317801
N-[2-oxo-2-[2-(6-oxo-3-phenylpyridazin-1-yl)ethylamino]ethyl]benzamide
CID 121033287

Frequently Asked Questions

What is the IUPAC name of 3-(6-oxo-3-phenylpyridazin-1-yl)propanoic acid?
The IUPAC name of 3-(6-oxo-3-phenylpyridazin-1-yl)propanoic acid (CID 4086163) is 3-(6-oxo-3-phenylpyridazin-1-yl)propanoic acid.
What is the SMILES notation for 3-(6-oxo-3-phenylpyridazin-1-yl)propanoic acid?
The canonical SMILES for 3-(6-oxo-3-phenylpyridazin-1-yl)propanoic acid is O=C(O)CCn1nc(-c2ccccc2)ccc1=O.
What is the InChIKey of 3-(6-oxo-3-phenylpyridazin-1-yl)propanoic acid?
The InChIKey is NZUXPNSGLKNCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c16-12-7-6-11(10-4-2-1-3-5-10)14-15(12)9-8-13(17)18/h1-7H,8-9H2,(H,17,18).
What are the key properties of 3-(6-oxo-3-phenylpyridazin-1-yl)propanoic acid?
3-(6-oxo-3-phenylpyridazin-1-yl)propanoic acid has a molecular weight of 244.25 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-oxo-3-phenylpyridazin-1-yl)propanoic acid is sourced from PubChem (CID 4086163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).