6-(4-imidazol-1-ylphenyl)-2-methyl-4,5-dihydropyridazin-3-one

C14H14N4O — CID 13233881

IUPAC6-(4-imidazol-1-ylphenyl)-2-methyl-4,5-dihydropyridazin-3-one
SMILESCN1N=C(c2ccc(-n3ccnc3)cc2)CCC1=O
InChIInChI=1S/C14H14N4O/c1-17-14(19)7-6-13(16-17)11-2-4-12(5-3-11)18-9-8-15-10-18/h2-5,8-10H,6-7H2,1H3
InChIKeySLWHZJYHEKCTQX-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.83
Rot. Bonds2

About 6-(4-imidazol-1-ylphenyl)-2-methyl-4,5-dihydropyridazin-3-one

6-(4-imidazol-1-ylphenyl)-2-methyl-4,5-dihydropyridazin-3-one (PubChem CID 13233881) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 6-(4-imidazol-1-ylphenyl)-2-methyl-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-(4-imidazol-1-ylphenyl)-2-methyl-4,5-dihydropyridazin-3-one
PubChem CID13233881
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name6-(4-imidazol-1-ylphenyl)-2-methyl-4,5-dihydropyridazin-3-one
SMILESCN1N=C(c2ccc(-n3ccnc3)cc2)CCC1=O
InChIInChI=1S/C14H14N4O/c1-17-14(19)7-6-13(16-17)11-2-4-12(5-3-11)18-9-8-15-10-18/h2-5,8-10H,6-7H2,1H3
InChIKeySLWHZJYHEKCTQX-UHFFFAOYSA-N
XLogP1.83
TPSA50.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-imidazol-1-ylphenyl)-2-methyl-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-(4-imidazol-1-ylphenyl)-2-methyl-4,5-dihydropyridazin-3-one (CID 13233881) is 6-(4-imidazol-1-ylphenyl)-2-methyl-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-(4-imidazol-1-ylphenyl)-2-methyl-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-(4-imidazol-1-ylphenyl)-2-methyl-4,5-dihydropyridazin-3-one is CN1N=C(c2ccc(-n3ccnc3)cc2)CCC1=O.
What is the InChIKey of 6-(4-imidazol-1-ylphenyl)-2-methyl-4,5-dihydropyridazin-3-one?
The InChIKey is SLWHZJYHEKCTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-17-14(19)7-6-13(16-17)11-2-4-12(5-3-11)18-9-8-15-10-18/h2-5,8-10H,6-7H2,1H3.
What are the key properties of 6-(4-imidazol-1-ylphenyl)-2-methyl-4,5-dihydropyridazin-3-one?
6-(4-imidazol-1-ylphenyl)-2-methyl-4,5-dihydropyridazin-3-one has a molecular weight of 254.29 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-imidazol-1-ylphenyl)-2-methyl-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 13233881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).