3-(4-imidazol-1-ylphenyl)-1H-pyridazin-6-one

C13H10N4O — CID 13059432

IUPAC3-(4-imidazol-1-ylphenyl)-1H-pyridazin-6-one
SMILESO=c1ccc(-c2ccc(-n3ccnc3)cc2)n[nH]1
InChIInChI=1S/C13H10N4O/c18-13-6-5-12(15-16-13)10-1-3-11(4-2-10)17-8-7-14-9-17/h1-9H,(H,16,18)
InChIKeyNCNPWWDCUPUDBU-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.62
Rot. Bonds2

About 3-(4-imidazol-1-ylphenyl)-1H-pyridazin-6-one

3-(4-imidazol-1-ylphenyl)-1H-pyridazin-6-one (PubChem CID 13059432) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is 3-(4-imidazol-1-ylphenyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(4-imidazol-1-ylphenyl)-1H-pyridazin-6-one
PubChem CID13059432
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC Name3-(4-imidazol-1-ylphenyl)-1H-pyridazin-6-one
SMILESO=c1ccc(-c2ccc(-n3ccnc3)cc2)n[nH]1
InChIInChI=1S/C13H10N4O/c18-13-6-5-12(15-16-13)10-1-3-11(4-2-10)17-8-7-14-9-17/h1-9H,(H,16,18)
InChIKeyNCNPWWDCUPUDBU-UHFFFAOYSA-N
XLogP1.62
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-imidazol-1-ylphenyl)-1H-pyridazin-6-one?
The IUPAC name of 3-(4-imidazol-1-ylphenyl)-1H-pyridazin-6-one (CID 13059432) is 3-(4-imidazol-1-ylphenyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(4-imidazol-1-ylphenyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(4-imidazol-1-ylphenyl)-1H-pyridazin-6-one is O=c1ccc(-c2ccc(-n3ccnc3)cc2)n[nH]1.
What is the InChIKey of 3-(4-imidazol-1-ylphenyl)-1H-pyridazin-6-one?
The InChIKey is NCNPWWDCUPUDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O/c18-13-6-5-12(15-16-13)10-1-3-11(4-2-10)17-8-7-14-9-17/h1-9H,(H,16,18).
What are the key properties of 3-(4-imidazol-1-ylphenyl)-1H-pyridazin-6-one?
3-(4-imidazol-1-ylphenyl)-1H-pyridazin-6-one has a molecular weight of 238.25 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-imidazol-1-ylphenyl)-1H-pyridazin-6-one is sourced from PubChem (CID 13059432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).