3-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one

C15H15FN4O3 — CID 110669931

IUPAC3-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(C(=O)N2CCNC(=O)C2c2ccc(F)cc2)=NN1
InChIInChI=1S/C15H15FN4O3/c16-10-3-1-9(2-4-10)13-14(22)17-7-8-20(13)15(23)11-5-6-12(21)19-18-11/h1-4,13H,5-8H2,(H,17,22)(H,19,21)
InChIKeyMTQICUUBLXOZGT-UHFFFAOYSA-N
MW318.31 g/mol
LogP0.09
Rot. Bonds2

About 3-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one

3-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 110669931) has the molecular formula C15H15FN4O3 and a molecular weight of 318.31 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID110669931
Molecular FormulaC15H15FN4O3
Molecular Weight318.31 g/mol
Exact Mass318.11
IUPAC Name3-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(C(=O)N2CCNC(=O)C2c2ccc(F)cc2)=NN1
InChIInChI=1S/C15H15FN4O3/c16-10-3-1-9(2-4-10)13-14(22)17-7-8-20(13)15(23)11-5-6-12(21)19-18-11/h1-4,13H,5-8H2,(H,17,22)(H,19,21)
InChIKeyMTQICUUBLXOZGT-UHFFFAOYSA-N
XLogP0.09
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.31
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one (CID 110669931) is 3-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one is O=C1CCC(C(=O)N2CCNC(=O)C2c2ccc(F)cc2)=NN1.
What is the InChIKey of 3-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is MTQICUUBLXOZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O3/c16-10-3-1-9(2-4-10)13-14(22)17-7-8-20(13)15(23)11-5-6-12(21)19-18-11/h1-4,13H,5-8H2,(H,17,22)(H,19,21).
What are the key properties of 3-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one?
3-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 318.31 g/mol, XLogP of 0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 110669931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).