5-[1-(4-fluorophenyl)cyclopropyl]-1,2-dihydropyridazine-3,4-dione

C13H11FN2O2 — CID 118368631

IUPAC5-[1-(4-fluorophenyl)cyclopropyl]-1,2-dihydropyridazine-3,4-dione
SMILESO=c1[nH][nH]cc(C2(c3ccc(F)cc3)CC2)c1=O
InChIInChI=1S/C13H11FN2O2/c14-9-3-1-8(2-4-9)13(5-6-13)10-7-15-16-12(18)11(10)17/h1-4,7H,5-6H2,(H,15,17)(H,16,18)
InChIKeyPLQMTSSNBLALPK-UHFFFAOYSA-N
MW246.24 g/mol
LogP1.28
Rot. Bonds2

About 5-[1-(4-fluorophenyl)cyclopropyl]-1,2-dihydropyridazine-3,4-dione

5-[1-(4-fluorophenyl)cyclopropyl]-1,2-dihydropyridazine-3,4-dione (PubChem CID 118368631) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is 5-[1-(4-fluorophenyl)cyclopropyl]-1,2-dihydropyridazine-3,4-dione.

Molecular Properties

Compound Name5-[1-(4-fluorophenyl)cyclopropyl]-1,2-dihydropyridazine-3,4-dione
PubChem CID118368631
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC Name5-[1-(4-fluorophenyl)cyclopropyl]-1,2-dihydropyridazine-3,4-dione
SMILESO=c1[nH][nH]cc(C2(c3ccc(F)cc3)CC2)c1=O
InChIInChI=1S/C13H11FN2O2/c14-9-3-1-8(2-4-9)13(5-6-13)10-7-15-16-12(18)11(10)17/h1-4,7H,5-6H2,(H,15,17)(H,16,18)
InChIKeyPLQMTSSNBLALPK-UHFFFAOYSA-N
XLogP1.28
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-fluorophenyl)cyclopropyl]-1,2-dihydropyridazine-3,4-dione?
The IUPAC name of 5-[1-(4-fluorophenyl)cyclopropyl]-1,2-dihydropyridazine-3,4-dione (CID 118368631) is 5-[1-(4-fluorophenyl)cyclopropyl]-1,2-dihydropyridazine-3,4-dione.
What is the SMILES notation for 5-[1-(4-fluorophenyl)cyclopropyl]-1,2-dihydropyridazine-3,4-dione?
The canonical SMILES for 5-[1-(4-fluorophenyl)cyclopropyl]-1,2-dihydropyridazine-3,4-dione is O=c1[nH][nH]cc(C2(c3ccc(F)cc3)CC2)c1=O.
What is the InChIKey of 5-[1-(4-fluorophenyl)cyclopropyl]-1,2-dihydropyridazine-3,4-dione?
The InChIKey is PLQMTSSNBLALPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c14-9-3-1-8(2-4-9)13(5-6-13)10-7-15-16-12(18)11(10)17/h1-4,7H,5-6H2,(H,15,17)(H,16,18).
What are the key properties of 5-[1-(4-fluorophenyl)cyclopropyl]-1,2-dihydropyridazine-3,4-dione?
5-[1-(4-fluorophenyl)cyclopropyl]-1,2-dihydropyridazine-3,4-dione has a molecular weight of 246.24 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-fluorophenyl)cyclopropyl]-1,2-dihydropyridazine-3,4-dione is sourced from PubChem (CID 118368631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).