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

C14H12N4O — CID 14099446

IUPAC3-(4-imidazol-1-ylphenyl)-4-methyl-1H-pyridazin-6-one
SMILESCc1cc(=O)[nH]nc1-c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C14H12N4O/c1-10-8-13(19)16-17-14(10)11-2-4-12(5-3-11)18-7-6-15-9-18/h2-9H,1H3,(H,16,19)
InChIKeyJHCQIYAUCIHYNU-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.93
Rot. Bonds2

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

3-(4-imidazol-1-ylphenyl)-4-methyl-1H-pyridazin-6-one (PubChem CID 14099446) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 3-(4-imidazol-1-ylphenyl)-4-methyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(4-imidazol-1-ylphenyl)-4-methyl-1H-pyridazin-6-one
PubChem CID14099446
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name3-(4-imidazol-1-ylphenyl)-4-methyl-1H-pyridazin-6-one
SMILESCc1cc(=O)[nH]nc1-c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C14H12N4O/c1-10-8-13(19)16-17-14(10)11-2-4-12(5-3-11)18-7-6-15-9-18/h2-9H,1H3,(H,16,19)
InChIKeyJHCQIYAUCIHYNU-UHFFFAOYSA-N
XLogP1.93
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.93
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)-4-methyl-1H-pyridazin-6-one?
The IUPAC name of 3-(4-imidazol-1-ylphenyl)-4-methyl-1H-pyridazin-6-one (CID 14099446) is 3-(4-imidazol-1-ylphenyl)-4-methyl-1H-pyridazin-6-one.
What is the SMILES notation for 3-(4-imidazol-1-ylphenyl)-4-methyl-1H-pyridazin-6-one?
The canonical SMILES for 3-(4-imidazol-1-ylphenyl)-4-methyl-1H-pyridazin-6-one is Cc1cc(=O)[nH]nc1-c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 3-(4-imidazol-1-ylphenyl)-4-methyl-1H-pyridazin-6-one?
The InChIKey is JHCQIYAUCIHYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-10-8-13(19)16-17-14(10)11-2-4-12(5-3-11)18-7-6-15-9-18/h2-9H,1H3,(H,16,19).
What are the key properties of 3-(4-imidazol-1-ylphenyl)-4-methyl-1H-pyridazin-6-one?
3-(4-imidazol-1-ylphenyl)-4-methyl-1H-pyridazin-6-one has a molecular weight of 252.28 g/mol, XLogP of 1.93, 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)-4-methyl-1H-pyridazin-6-one is sourced from PubChem (CID 14099446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).