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

C13H11N5O — CID 14099449

IUPAC5-amino-3-(4-imidazol-1-ylphenyl)-1H-pyridazin-6-one
SMILESNc1cc(-c2ccc(-n3ccnc3)cc2)n[nH]c1=O
InChIInChI=1S/C13H11N5O/c14-11-7-12(16-17-13(11)19)9-1-3-10(4-2-9)18-6-5-15-8-18/h1-8H,(H2,14,16)(H,17,19)
InChIKeyLZSFWALTJLYIAU-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.20
Rot. Bonds2

About 5-amino-3-(4-imidazol-1-ylphenyl)-1H-pyridazin-6-one

5-amino-3-(4-imidazol-1-ylphenyl)-1H-pyridazin-6-one (PubChem CID 14099449) has the molecular formula C13H11N5O and a molecular weight of 253.27 g/mol. Its IUPAC name is 5-amino-3-(4-imidazol-1-ylphenyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-amino-3-(4-imidazol-1-ylphenyl)-1H-pyridazin-6-one
PubChem CID14099449
Molecular FormulaC13H11N5O
Molecular Weight253.27 g/mol
Exact Mass253.10
IUPAC Name5-amino-3-(4-imidazol-1-ylphenyl)-1H-pyridazin-6-one
SMILESNc1cc(-c2ccc(-n3ccnc3)cc2)n[nH]c1=O
InChIInChI=1S/C13H11N5O/c14-11-7-12(16-17-13(11)19)9-1-3-10(4-2-9)18-6-5-15-8-18/h1-8H,(H2,14,16)(H,17,19)
InChIKeyLZSFWALTJLYIAU-UHFFFAOYSA-N
XLogP1.20
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(4-imidazol-1-ylphenyl)-1H-pyridazin-6-one?
The IUPAC name of 5-amino-3-(4-imidazol-1-ylphenyl)-1H-pyridazin-6-one (CID 14099449) is 5-amino-3-(4-imidazol-1-ylphenyl)-1H-pyridazin-6-one.
What is the SMILES notation for 5-amino-3-(4-imidazol-1-ylphenyl)-1H-pyridazin-6-one?
The canonical SMILES for 5-amino-3-(4-imidazol-1-ylphenyl)-1H-pyridazin-6-one is Nc1cc(-c2ccc(-n3ccnc3)cc2)n[nH]c1=O.
What is the InChIKey of 5-amino-3-(4-imidazol-1-ylphenyl)-1H-pyridazin-6-one?
The InChIKey is LZSFWALTJLYIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O/c14-11-7-12(16-17-13(11)19)9-1-3-10(4-2-9)18-6-5-15-8-18/h1-8H,(H2,14,16)(H,17,19).
What are the key properties of 5-amino-3-(4-imidazol-1-ylphenyl)-1H-pyridazin-6-one?
5-amino-3-(4-imidazol-1-ylphenyl)-1H-pyridazin-6-one has a molecular weight of 253.27 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(4-imidazol-1-ylphenyl)-1H-pyridazin-6-one is sourced from PubChem (CID 14099449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).