4-ethyl-5-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one

C18H23FN4O — CID 138471711

IUPAC4-ethyl-5-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one
SMILESCCc1cn[nH]c(=O)c1N1CCN(Cc2ccc(F)cc2C)CC1
InChIInChI=1S/C18H23FN4O/c1-3-14-11-20-21-18(24)17(14)23-8-6-22(7-9-23)12-15-4-5-16(19)10-13(15)2/h4-5,10-11H,3,6-9,12H2,1-2H3,(H,21,24)
InChIKeyZPQMSIWTVTXPRZ-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.10
Rot. Bonds4

About 4-ethyl-5-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one

4-ethyl-5-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one (PubChem CID 138471711) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is 4-ethyl-5-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-ethyl-5-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one
PubChem CID138471711
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC Name4-ethyl-5-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one
SMILESCCc1cn[nH]c(=O)c1N1CCN(Cc2ccc(F)cc2C)CC1
InChIInChI=1S/C18H23FN4O/c1-3-14-11-20-21-18(24)17(14)23-8-6-22(7-9-23)12-15-4-5-16(19)10-13(15)2/h4-5,10-11H,3,6-9,12H2,1-2H3,(H,21,24)
InChIKeyZPQMSIWTVTXPRZ-UHFFFAOYSA-N
XLogP2.10
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 4-ethyl-5-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one (CID 138471711) is 4-ethyl-5-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 4-ethyl-5-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 4-ethyl-5-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one is CCc1cn[nH]c(=O)c1N1CCN(Cc2ccc(F)cc2C)CC1.
What is the InChIKey of 4-ethyl-5-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one?
The InChIKey is ZPQMSIWTVTXPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O/c1-3-14-11-20-21-18(24)17(14)23-8-6-22(7-9-23)12-15-4-5-16(19)10-13(15)2/h4-5,10-11H,3,6-9,12H2,1-2H3,(H,21,24).
What are the key properties of 4-ethyl-5-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one?
4-ethyl-5-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one has a molecular weight of 330.41 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 138471711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).