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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Related Compounds

3-[4-(aminomethyl)piperidine-1-carbonyl]-1-(2-fluorophenyl)-6-methylpyridazin-4-one
CID 119423489
1-(2-fluorophenyl)-3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]-6-methylpyridazin-4-one
CID 24552263
3-[4-(1-aminoethyl)piperidine-1-carbonyl]-1-(2-fluorophenyl)-6-methylpyridazin-4-one;hydrochloride
CID 119519008
3-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazine-1-carbonyl]-1-(2-fluorophenyl)-6-methylpyridazin-4-one
CID 35611354
3-(3-ethylpiperidine-1-carbonyl)-1-(2-fluorophenyl)-6-methylpyridazin-4-one
CID 56812348
1-(2-fluorophenyl)-3-[4-[(R)-hydroxy(phenyl)methyl]piperidine-1-carbonyl]-6-methylpyridazin-4-one
CID 31059497
1-(2-fluorophenyl)-6-methyl-4-oxo-N-(2-piperazin-1-ylethyl)pyridazine-3-carboxamide;hydrochloride
CID 119447197
3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-(2-fluorophenyl)-6-methylpyridazin-4-one
CID 35514756
2-[4-[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 55456080
1-(2-fluorophenyl)-6-methyl-3-[(2S)-2-methylpiperidine-1-carbonyl]pyridazin-4-one
CID 51644039
1-(2-fluorophenyl)-6-methyl-3-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxaline-4-carbonyl)pyridazin-4-one
CID 18153287
3-[2-(aminomethyl)piperidine-1-carbonyl]-1-(2-fluorophenyl)-6-methylpyridazin-4-one
CID 119468055

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).