1-(2-fluorophenyl)-6-methyl-3-(3-oxopiperazine-1-carbonyl)pyridazin-4-one

C16H15FN4O3 — CID 31097080

IUPAC1-(2-fluorophenyl)-6-methyl-3-(3-oxopiperazine-1-carbonyl)pyridazin-4-one
SMILESCc1cc(=O)c(C(=O)N2CCNC(=O)C2)nn1-c1ccccc1F
InChIInChI=1S/C16H15FN4O3/c1-10-8-13(22)15(16(24)20-7-6-18-14(23)9-20)19-21(10)12-5-3-2-4-11(12)17/h2-5,8H,6-7,9H2,1H3,(H,18,23)
InChIKeyZOADGONQYPUQRX-UHFFFAOYSA-N
MW330.32 g/mol
LogP0.25
Rot. Bonds2

About 1-(2-fluorophenyl)-6-methyl-3-(3-oxopiperazine-1-carbonyl)pyridazin-4-one

1-(2-fluorophenyl)-6-methyl-3-(3-oxopiperazine-1-carbonyl)pyridazin-4-one (PubChem CID 31097080) has the molecular formula C16H15FN4O3 and a molecular weight of 330.32 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-6-methyl-3-(3-oxopiperazine-1-carbonyl)pyridazin-4-one.

Molecular Properties

Compound Name1-(2-fluorophenyl)-6-methyl-3-(3-oxopiperazine-1-carbonyl)pyridazin-4-one
PubChem CID31097080
Molecular FormulaC16H15FN4O3
Molecular Weight330.32 g/mol
Exact Mass330.11
IUPAC Name1-(2-fluorophenyl)-6-methyl-3-(3-oxopiperazine-1-carbonyl)pyridazin-4-one
SMILESCc1cc(=O)c(C(=O)N2CCNC(=O)C2)nn1-c1ccccc1F
InChIInChI=1S/C16H15FN4O3/c1-10-8-13(22)15(16(24)20-7-6-18-14(23)9-20)19-21(10)12-5-3-2-4-11(12)17/h2-5,8H,6-7,9H2,1H3,(H,18,23)
InChIKeyZOADGONQYPUQRX-UHFFFAOYSA-N
XLogP0.25
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-6-methyl-3-(3-oxopiperazine-1-carbonyl)pyridazin-4-one?
The IUPAC name of 1-(2-fluorophenyl)-6-methyl-3-(3-oxopiperazine-1-carbonyl)pyridazin-4-one (CID 31097080) is 1-(2-fluorophenyl)-6-methyl-3-(3-oxopiperazine-1-carbonyl)pyridazin-4-one.
What is the SMILES notation for 1-(2-fluorophenyl)-6-methyl-3-(3-oxopiperazine-1-carbonyl)pyridazin-4-one?
The canonical SMILES for 1-(2-fluorophenyl)-6-methyl-3-(3-oxopiperazine-1-carbonyl)pyridazin-4-one is Cc1cc(=O)c(C(=O)N2CCNC(=O)C2)nn1-c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-6-methyl-3-(3-oxopiperazine-1-carbonyl)pyridazin-4-one?
The InChIKey is ZOADGONQYPUQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O3/c1-10-8-13(22)15(16(24)20-7-6-18-14(23)9-20)19-21(10)12-5-3-2-4-11(12)17/h2-5,8H,6-7,9H2,1H3,(H,18,23).
What are the key properties of 1-(2-fluorophenyl)-6-methyl-3-(3-oxopiperazine-1-carbonyl)pyridazin-4-one?
1-(2-fluorophenyl)-6-methyl-3-(3-oxopiperazine-1-carbonyl)pyridazin-4-one has a molecular weight of 330.32 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-6-methyl-3-(3-oxopiperazine-1-carbonyl)pyridazin-4-one is sourced from PubChem (CID 31097080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).