1-cyclobutyl-4-[[6-(3-fluorophenyl)pyridazin-3-yl]methyl]pyrazine-2,3-dione

C19H17FN4O2 — CID 166103241

IUPAC1-cyclobutyl-4-[[6-(3-fluorophenyl)pyridazin-3-yl]methyl]pyrazine-2,3-dione
SMILESO=c1c(=O)n(C2CCC2)ccn1Cc1ccc(-c2cccc(F)c2)nn1
InChIInChI=1S/C19H17FN4O2/c20-14-4-1-3-13(11-14)17-8-7-15(21-22-17)12-23-9-10-24(16-5-2-6-16)19(26)18(23)25/h1,3-4,7-11,16H,2,5-6,12H2
InChIKeyOAJTXOWPXQCUBB-UHFFFAOYSA-N
MW352.37 g/mol
LogP2.38
Rot. Bonds4

About 1-cyclobutyl-4-[[6-(3-fluorophenyl)pyridazin-3-yl]methyl]pyrazine-2,3-dione

1-cyclobutyl-4-[[6-(3-fluorophenyl)pyridazin-3-yl]methyl]pyrazine-2,3-dione (PubChem CID 166103241) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is 1-cyclobutyl-4-[[6-(3-fluorophenyl)pyridazin-3-yl]methyl]pyrazine-2,3-dione.

Molecular Properties

Compound Name1-cyclobutyl-4-[[6-(3-fluorophenyl)pyridazin-3-yl]methyl]pyrazine-2,3-dione
PubChem CID166103241
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC Name1-cyclobutyl-4-[[6-(3-fluorophenyl)pyridazin-3-yl]methyl]pyrazine-2,3-dione
SMILESO=c1c(=O)n(C2CCC2)ccn1Cc1ccc(-c2cccc(F)c2)nn1
InChIInChI=1S/C19H17FN4O2/c20-14-4-1-3-13(11-14)17-8-7-15(21-22-17)12-23-9-10-24(16-5-2-6-16)19(26)18(23)25/h1,3-4,7-11,16H,2,5-6,12H2
InChIKeyOAJTXOWPXQCUBB-UHFFFAOYSA-N
XLogP2.38
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 1-cyclobutyl-4-[[6-(3-fluorophenyl)pyridazin-3-yl]methyl]pyrazine-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-4-[[6-(3-fluorophenyl)pyridazin-3-yl]methyl]pyrazine-2,3-dione?
The IUPAC name of 1-cyclobutyl-4-[[6-(3-fluorophenyl)pyridazin-3-yl]methyl]pyrazine-2,3-dione (CID 166103241) is 1-cyclobutyl-4-[[6-(3-fluorophenyl)pyridazin-3-yl]methyl]pyrazine-2,3-dione.
What is the SMILES notation for 1-cyclobutyl-4-[[6-(3-fluorophenyl)pyridazin-3-yl]methyl]pyrazine-2,3-dione?
The canonical SMILES for 1-cyclobutyl-4-[[6-(3-fluorophenyl)pyridazin-3-yl]methyl]pyrazine-2,3-dione is O=c1c(=O)n(C2CCC2)ccn1Cc1ccc(-c2cccc(F)c2)nn1.
What is the InChIKey of 1-cyclobutyl-4-[[6-(3-fluorophenyl)pyridazin-3-yl]methyl]pyrazine-2,3-dione?
The InChIKey is OAJTXOWPXQCUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c20-14-4-1-3-13(11-14)17-8-7-15(21-22-17)12-23-9-10-24(16-5-2-6-16)19(26)18(23)25/h1,3-4,7-11,16H,2,5-6,12H2.
What are the key properties of 1-cyclobutyl-4-[[6-(3-fluorophenyl)pyridazin-3-yl]methyl]pyrazine-2,3-dione?
1-cyclobutyl-4-[[6-(3-fluorophenyl)pyridazin-3-yl]methyl]pyrazine-2,3-dione has a molecular weight of 352.37 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-4-[[6-(3-fluorophenyl)pyridazin-3-yl]methyl]pyrazine-2,3-dione is sourced from PubChem (CID 166103241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).