3-chloro-2-piperazin-1-yl-5-(trifluoromethyl)pyrazine

C9H10ClF3N4 — CID 167192285

IUPAC3-chloro-2-piperazin-1-yl-5-(trifluoromethyl)pyrazine
SMILESFC(F)(F)c1cnc(N2CCNCC2)c(Cl)n1
InChIInChI=1S/C9H10ClF3N4/c10-7-8(17-3-1-14-2-4-17)15-5-6(16-7)9(11,12)13/h5,14H,1-4H2
InChIKeyAFITYVBERSZXER-UHFFFAOYSA-N
MW266.65 g/mol
LogP1.56
Rot. Bonds1

About 3-chloro-2-piperazin-1-yl-5-(trifluoromethyl)pyrazine

3-chloro-2-piperazin-1-yl-5-(trifluoromethyl)pyrazine (PubChem CID 167192285) has the molecular formula C9H10ClF3N4 and a molecular weight of 266.65 g/mol. Its IUPAC name is 3-chloro-2-piperazin-1-yl-5-(trifluoromethyl)pyrazine.

Molecular Properties

Compound Name3-chloro-2-piperazin-1-yl-5-(trifluoromethyl)pyrazine
PubChem CID167192285
Molecular FormulaC9H10ClF3N4
Molecular Weight266.65 g/mol
Exact Mass266.05
IUPAC Name3-chloro-2-piperazin-1-yl-5-(trifluoromethyl)pyrazine
SMILESFC(F)(F)c1cnc(N2CCNCC2)c(Cl)n1
InChIInChI=1S/C9H10ClF3N4/c10-7-8(17-3-1-14-2-4-17)15-5-6(16-7)9(11,12)13/h5,14H,1-4H2
InChIKeyAFITYVBERSZXER-UHFFFAOYSA-N
XLogP1.56
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.65
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-piperazin-1-yl-5-(trifluoromethyl)pyrazine?
The IUPAC name of 3-chloro-2-piperazin-1-yl-5-(trifluoromethyl)pyrazine (CID 167192285) is 3-chloro-2-piperazin-1-yl-5-(trifluoromethyl)pyrazine.
What is the SMILES notation for 3-chloro-2-piperazin-1-yl-5-(trifluoromethyl)pyrazine?
The canonical SMILES for 3-chloro-2-piperazin-1-yl-5-(trifluoromethyl)pyrazine is FC(F)(F)c1cnc(N2CCNCC2)c(Cl)n1.
What is the InChIKey of 3-chloro-2-piperazin-1-yl-5-(trifluoromethyl)pyrazine?
The InChIKey is AFITYVBERSZXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF3N4/c10-7-8(17-3-1-14-2-4-17)15-5-6(16-7)9(11,12)13/h5,14H,1-4H2.
What are the key properties of 3-chloro-2-piperazin-1-yl-5-(trifluoromethyl)pyrazine?
3-chloro-2-piperazin-1-yl-5-(trifluoromethyl)pyrazine has a molecular weight of 266.65 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-piperazin-1-yl-5-(trifluoromethyl)pyrazine is sourced from PubChem (CID 167192285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).