3-(4-imidazol-1-ylphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid

C14H10N4O3 — CID 14099450

IUPAC3-(4-imidazol-1-ylphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(-n3ccnc3)cc2)n[nH]c1=O
InChIInChI=1S/C14H10N4O3/c19-13-11(14(20)21)7-12(16-17-13)9-1-3-10(4-2-9)18-6-5-15-8-18/h1-8H,(H,17,19)(H,20,21)
InChIKeyJVRRTTLPLIFZHF-UHFFFAOYSA-N
MW282.26 g/mol
LogP1.32
Rot. Bonds3

About 3-(4-imidazol-1-ylphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid

3-(4-imidazol-1-ylphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid (PubChem CID 14099450) has the molecular formula C14H10N4O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 3-(4-imidazol-1-ylphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid.

Molecular Properties

Compound Name3-(4-imidazol-1-ylphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
PubChem CID14099450
Molecular FormulaC14H10N4O3
Molecular Weight282.26 g/mol
Exact Mass282.08
IUPAC Name3-(4-imidazol-1-ylphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(-n3ccnc3)cc2)n[nH]c1=O
InChIInChI=1S/C14H10N4O3/c19-13-11(14(20)21)7-12(16-17-13)9-1-3-10(4-2-9)18-6-5-15-8-18/h1-8H,(H,17,19)(H,20,21)
InChIKeyJVRRTTLPLIFZHF-UHFFFAOYSA-N
XLogP1.32
TPSA100.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-imidazol-1-ylphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid?
The IUPAC name of 3-(4-imidazol-1-ylphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid (CID 14099450) is 3-(4-imidazol-1-ylphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid.
What is the SMILES notation for 3-(4-imidazol-1-ylphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid?
The canonical SMILES for 3-(4-imidazol-1-ylphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid is O=C(O)c1cc(-c2ccc(-n3ccnc3)cc2)n[nH]c1=O.
What is the InChIKey of 3-(4-imidazol-1-ylphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid?
The InChIKey is JVRRTTLPLIFZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O3/c19-13-11(14(20)21)7-12(16-17-13)9-1-3-10(4-2-9)18-6-5-15-8-18/h1-8H,(H,17,19)(H,20,21).
What are the key properties of 3-(4-imidazol-1-ylphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid?
3-(4-imidazol-1-ylphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid has a molecular weight of 282.26 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-imidazol-1-ylphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid is sourced from PubChem (CID 14099450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).