2-benzyl-3-oxopyridazine-4-carboxylic acid

C12H10N2O3 — CID 97181365

IUPAC2-benzyl-3-oxopyridazine-4-carboxylic acid
SMILESO=C(O)c1ccnn(Cc2ccccc2)c1=O
InChIInChI=1S/C12H10N2O3/c15-11-10(12(16)17)6-7-13-14(11)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,16,17)
InChIKeyMLHWECDTXBMVPY-UHFFFAOYSA-N
MW230.22 g/mol
LogP0.99
Rot. Bonds3

About 2-benzyl-3-oxopyridazine-4-carboxylic acid

2-benzyl-3-oxopyridazine-4-carboxylic acid (PubChem CID 97181365) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 2-benzyl-3-oxopyridazine-4-carboxylic acid.

Molecular Properties

Compound Name2-benzyl-3-oxopyridazine-4-carboxylic acid
PubChem CID97181365
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name2-benzyl-3-oxopyridazine-4-carboxylic acid
SMILESO=C(O)c1ccnn(Cc2ccccc2)c1=O
InChIInChI=1S/C12H10N2O3/c15-11-10(12(16)17)6-7-13-14(11)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,16,17)
InChIKeyMLHWECDTXBMVPY-UHFFFAOYSA-N
XLogP0.99
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-N-tert-butyl-3-oxopyridazine-4-carboxamide
CID 59531638
3-oxo-2-(2-phenoxyethyl)pyridazine-4-carboxylic acid
CID 119053509
4-benzoyl-2-benzyl-5-chloropyridazin-3-one
CID 53475592
2-(2-benzylpyrazol-3-yl)-2-oxoacetic acid
CID 83391417
ethyl 2-(2-benzyl-3-oxopyridazin-4-yl)acetate
CID 68976287
1,5-dibenzylpyrazole-4-carboxylic acid
CID 121436106
1-benzyl-5-fluoropyrazole-4-carboxylic acid
CID 115031839
4-benzyl-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 123608382
2-benzyl-4-cyclopentylpyridazin-3-one
CID 141479877
2-benzyl-4-(4-methoxyphenyl)pyridazin-3-one
CID 56927385
2-[(4-chlorophenyl)methyl]pyrazole-3-carboxylic acid
CID 60780144
N-(2-benzylpyrazol-3-yl)-2-iodobenzamide
CID 55359617

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-oxopyridazine-4-carboxylic acid?
The IUPAC name of 2-benzyl-3-oxopyridazine-4-carboxylic acid (CID 97181365) is 2-benzyl-3-oxopyridazine-4-carboxylic acid.
What is the SMILES notation for 2-benzyl-3-oxopyridazine-4-carboxylic acid?
The canonical SMILES for 2-benzyl-3-oxopyridazine-4-carboxylic acid is O=C(O)c1ccnn(Cc2ccccc2)c1=O.
What is the InChIKey of 2-benzyl-3-oxopyridazine-4-carboxylic acid?
The InChIKey is MLHWECDTXBMVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c15-11-10(12(16)17)6-7-13-14(11)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,16,17).
What are the key properties of 2-benzyl-3-oxopyridazine-4-carboxylic acid?
2-benzyl-3-oxopyridazine-4-carboxylic acid has a molecular weight of 230.22 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-oxopyridazine-4-carboxylic acid is sourced from PubChem (CID 97181365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).