2-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-5-(trifluoromethyl)pyrazine

C11H15F3N4 — CID 166704994

IUPAC2-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-5-(trifluoromethyl)pyrazine
SMILESC[C@@H]1CN(c2cnc(C(F)(F)F)cn2)[C@@H](C)CN1
InChIInChI=1S/C11H15F3N4/c1-7-6-18(8(2)3-15-7)10-5-16-9(4-17-10)11(12,13)14/h4-5,7-8,15H,3,6H2,1-2H3/t7-,8+/m1/s1
InChIKeyIHCUZMQPGGWOOU-SFYZADRCSA-N
MW260.26 g/mol
LogP1.68
Rot. Bonds1

About 2-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-5-(trifluoromethyl)pyrazine

2-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-5-(trifluoromethyl)pyrazine (PubChem CID 166704994) has the molecular formula C11H15F3N4 and a molecular weight of 260.26 g/mol. Its IUPAC name is 2-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-5-(trifluoromethyl)pyrazine.

Molecular Properties

Compound Name2-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-5-(trifluoromethyl)pyrazine
PubChem CID166704994
Molecular FormulaC11H15F3N4
Molecular Weight260.26 g/mol
Exact Mass260.12
IUPAC Name2-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-5-(trifluoromethyl)pyrazine
SMILESC[C@@H]1CN(c2cnc(C(F)(F)F)cn2)[C@@H](C)CN1
InChIInChI=1S/C11H15F3N4/c1-7-6-18(8(2)3-15-7)10-5-16-9(4-17-10)11(12,13)14/h4-5,7-8,15H,3,6H2,1-2H3/t7-,8+/m1/s1
InChIKeyIHCUZMQPGGWOOU-SFYZADRCSA-N
XLogP1.68
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-5-(trifluoromethyl)pyrazine?
The IUPAC name of 2-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-5-(trifluoromethyl)pyrazine (CID 166704994) is 2-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-5-(trifluoromethyl)pyrazine.
What is the SMILES notation for 2-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-5-(trifluoromethyl)pyrazine?
The canonical SMILES for 2-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-5-(trifluoromethyl)pyrazine is C[C@@H]1CN(c2cnc(C(F)(F)F)cn2)[C@@H](C)CN1.
What is the InChIKey of 2-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-5-(trifluoromethyl)pyrazine?
The InChIKey is IHCUZMQPGGWOOU-SFYZADRCSA-N. The full InChI is InChI=1S/C11H15F3N4/c1-7-6-18(8(2)3-15-7)10-5-16-9(4-17-10)11(12,13)14/h4-5,7-8,15H,3,6H2,1-2H3/t7-,8+/m1/s1.
What are the key properties of 2-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-5-(trifluoromethyl)pyrazine?
2-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-5-(trifluoromethyl)pyrazine has a molecular weight of 260.26 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-5-(trifluoromethyl)pyrazine is sourced from PubChem (CID 166704994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).