6-ethyl-4-oxo-1-phenyl-5-propanoylpyridazine-3-carboxylic acid

C16H16N2O4 — CID 70472952

IUPAC6-ethyl-4-oxo-1-phenyl-5-propanoylpyridazine-3-carboxylic acid
SMILESCCC(=O)c1c(CC)n(-c2ccccc2)nc(C(=O)O)c1=O
InChIInChI=1S/C16H16N2O4/c1-3-11-13(12(19)4-2)15(20)14(16(21)22)17-18(11)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,21,22)
InChIKeyJPZNQTPYTHPMCR-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.09
Rot. Bonds5

About 6-ethyl-4-oxo-1-phenyl-5-propanoylpyridazine-3-carboxylic acid

6-ethyl-4-oxo-1-phenyl-5-propanoylpyridazine-3-carboxylic acid (PubChem CID 70472952) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 6-ethyl-4-oxo-1-phenyl-5-propanoylpyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-ethyl-4-oxo-1-phenyl-5-propanoylpyridazine-3-carboxylic acid
PubChem CID70472952
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name6-ethyl-4-oxo-1-phenyl-5-propanoylpyridazine-3-carboxylic acid
SMILESCCC(=O)c1c(CC)n(-c2ccccc2)nc(C(=O)O)c1=O
InChIInChI=1S/C16H16N2O4/c1-3-11-13(12(19)4-2)15(20)14(16(21)22)17-18(11)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,21,22)
InChIKeyJPZNQTPYTHPMCR-UHFFFAOYSA-N
XLogP2.09
TPSA89.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-oxo-1-phenyl-5-propanoylpyridazine-3-carboxylic acid?
The IUPAC name of 6-ethyl-4-oxo-1-phenyl-5-propanoylpyridazine-3-carboxylic acid (CID 70472952) is 6-ethyl-4-oxo-1-phenyl-5-propanoylpyridazine-3-carboxylic acid.
What is the SMILES notation for 6-ethyl-4-oxo-1-phenyl-5-propanoylpyridazine-3-carboxylic acid?
The canonical SMILES for 6-ethyl-4-oxo-1-phenyl-5-propanoylpyridazine-3-carboxylic acid is CCC(=O)c1c(CC)n(-c2ccccc2)nc(C(=O)O)c1=O.
What is the InChIKey of 6-ethyl-4-oxo-1-phenyl-5-propanoylpyridazine-3-carboxylic acid?
The InChIKey is JPZNQTPYTHPMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-3-11-13(12(19)4-2)15(20)14(16(21)22)17-18(11)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,21,22).
What are the key properties of 6-ethyl-4-oxo-1-phenyl-5-propanoylpyridazine-3-carboxylic acid?
6-ethyl-4-oxo-1-phenyl-5-propanoylpyridazine-3-carboxylic acid has a molecular weight of 300.31 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-oxo-1-phenyl-5-propanoylpyridazine-3-carboxylic acid is sourced from PubChem (CID 70472952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).