3-piperazin-1-yl-1-[(2,4,5-trifluorophenyl)methyl]pyrazin-2-one

C15H15F3N4O — CID 10245675

IUPAC3-piperazin-1-yl-1-[(2,4,5-trifluorophenyl)methyl]pyrazin-2-one
SMILESO=c1c(N2CCNCC2)nccn1Cc1cc(F)c(F)cc1F
InChIInChI=1S/C15H15F3N4O/c16-11-8-13(18)12(17)7-10(11)9-22-6-3-20-14(15(22)23)21-4-1-19-2-5-21/h3,6-8,19H,1-2,4-5,9H2
InChIKeyXSKYHZYWGSOTMJ-UHFFFAOYSA-N
MW324.31 g/mol
LogP1.12
Rot. Bonds3

About 3-piperazin-1-yl-1-[(2,4,5-trifluorophenyl)methyl]pyrazin-2-one

3-piperazin-1-yl-1-[(2,4,5-trifluorophenyl)methyl]pyrazin-2-one (PubChem CID 10245675) has the molecular formula C15H15F3N4O and a molecular weight of 324.31 g/mol. Its IUPAC name is 3-piperazin-1-yl-1-[(2,4,5-trifluorophenyl)methyl]pyrazin-2-one.

Molecular Properties

Compound Name3-piperazin-1-yl-1-[(2,4,5-trifluorophenyl)methyl]pyrazin-2-one
PubChem CID10245675
Molecular FormulaC15H15F3N4O
Molecular Weight324.31 g/mol
Exact Mass324.12
IUPAC Name3-piperazin-1-yl-1-[(2,4,5-trifluorophenyl)methyl]pyrazin-2-one
SMILESO=c1c(N2CCNCC2)nccn1Cc1cc(F)c(F)cc1F
InChIInChI=1S/C15H15F3N4O/c16-11-8-13(18)12(17)7-10(11)9-22-6-3-20-14(15(22)23)21-4-1-19-2-5-21/h3,6-8,19H,1-2,4-5,9H2
InChIKeyXSKYHZYWGSOTMJ-UHFFFAOYSA-N
XLogP1.12
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-yl-1-[(2,4,5-trifluorophenyl)methyl]pyrazin-2-one?
The IUPAC name of 3-piperazin-1-yl-1-[(2,4,5-trifluorophenyl)methyl]pyrazin-2-one (CID 10245675) is 3-piperazin-1-yl-1-[(2,4,5-trifluorophenyl)methyl]pyrazin-2-one.
What is the SMILES notation for 3-piperazin-1-yl-1-[(2,4,5-trifluorophenyl)methyl]pyrazin-2-one?
The canonical SMILES for 3-piperazin-1-yl-1-[(2,4,5-trifluorophenyl)methyl]pyrazin-2-one is O=c1c(N2CCNCC2)nccn1Cc1cc(F)c(F)cc1F.
What is the InChIKey of 3-piperazin-1-yl-1-[(2,4,5-trifluorophenyl)methyl]pyrazin-2-one?
The InChIKey is XSKYHZYWGSOTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O/c16-11-8-13(18)12(17)7-10(11)9-22-6-3-20-14(15(22)23)21-4-1-19-2-5-21/h3,6-8,19H,1-2,4-5,9H2.
What are the key properties of 3-piperazin-1-yl-1-[(2,4,5-trifluorophenyl)methyl]pyrazin-2-one?
3-piperazin-1-yl-1-[(2,4,5-trifluorophenyl)methyl]pyrazin-2-one has a molecular weight of 324.31 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-yl-1-[(2,4,5-trifluorophenyl)methyl]pyrazin-2-one is sourced from PubChem (CID 10245675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).