2-[2-(4-fluorophenyl)ethyl]-5-piperazin-1-ylpyridazin-3-one

C16H19FN4O — CID 72894175

IUPAC2-[2-(4-fluorophenyl)ethyl]-5-piperazin-1-ylpyridazin-3-one
SMILESO=c1cc(N2CCNCC2)cnn1CCc1ccc(F)cc1
InChIInChI=1S/C16H19FN4O/c17-14-3-1-13(2-4-14)5-8-21-16(22)11-15(12-19-21)20-9-6-18-7-10-20/h1-4,11-12,18H,5-10H2
InChIKeyCDNRHKSFRZNSRB-UHFFFAOYSA-N
MW302.35 g/mol
LogP1.03
Rot. Bonds4

About 2-[2-(4-fluorophenyl)ethyl]-5-piperazin-1-ylpyridazin-3-one

2-[2-(4-fluorophenyl)ethyl]-5-piperazin-1-ylpyridazin-3-one (PubChem CID 72894175) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)ethyl]-5-piperazin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)ethyl]-5-piperazin-1-ylpyridazin-3-one
PubChem CID72894175
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC Name2-[2-(4-fluorophenyl)ethyl]-5-piperazin-1-ylpyridazin-3-one
SMILESO=c1cc(N2CCNCC2)cnn1CCc1ccc(F)cc1
InChIInChI=1S/C16H19FN4O/c17-14-3-1-13(2-4-14)5-8-21-16(22)11-15(12-19-21)20-9-6-18-7-10-20/h1-4,11-12,18H,5-10H2
InChIKeyCDNRHKSFRZNSRB-UHFFFAOYSA-N
XLogP1.03
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)ethyl]-5-piperazin-1-ylpyridazin-3-one?
The IUPAC name of 2-[2-(4-fluorophenyl)ethyl]-5-piperazin-1-ylpyridazin-3-one (CID 72894175) is 2-[2-(4-fluorophenyl)ethyl]-5-piperazin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[2-(4-fluorophenyl)ethyl]-5-piperazin-1-ylpyridazin-3-one?
The canonical SMILES for 2-[2-(4-fluorophenyl)ethyl]-5-piperazin-1-ylpyridazin-3-one is O=c1cc(N2CCNCC2)cnn1CCc1ccc(F)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)ethyl]-5-piperazin-1-ylpyridazin-3-one?
The InChIKey is CDNRHKSFRZNSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c17-14-3-1-13(2-4-14)5-8-21-16(22)11-15(12-19-21)20-9-6-18-7-10-20/h1-4,11-12,18H,5-10H2.
What are the key properties of 2-[2-(4-fluorophenyl)ethyl]-5-piperazin-1-ylpyridazin-3-one?
2-[2-(4-fluorophenyl)ethyl]-5-piperazin-1-ylpyridazin-3-one has a molecular weight of 302.35 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)ethyl]-5-piperazin-1-ylpyridazin-3-one is sourced from PubChem (CID 72894175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).