2-[(2S)-2,4-dimethylpiperazin-1-yl]-6-(trifluoromethyl)pyrazine

C11H15F3N4 — CID 70812915

IUPAC2-[(2S)-2,4-dimethylpiperazin-1-yl]-6-(trifluoromethyl)pyrazine
SMILESC[C@H]1CN(C)CCN1c1cncc(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N4/c1-8-7-17(2)3-4-18(8)10-6-15-5-9(16-10)11(12,13)14/h5-6,8H,3-4,7H2,1-2H3/t8-/m0/s1
InChIKeyJIHVBYCTKHZPNF-QMMMGPOBSA-N
MW260.26 g/mol
LogP1.64
Rot. Bonds1

About 2-[(2S)-2,4-dimethylpiperazin-1-yl]-6-(trifluoromethyl)pyrazine

2-[(2S)-2,4-dimethylpiperazin-1-yl]-6-(trifluoromethyl)pyrazine (PubChem CID 70812915) has the molecular formula C11H15F3N4 and a molecular weight of 260.26 g/mol. Its IUPAC name is 2-[(2S)-2,4-dimethylpiperazin-1-yl]-6-(trifluoromethyl)pyrazine.

Molecular Properties

Compound Name2-[(2S)-2,4-dimethylpiperazin-1-yl]-6-(trifluoromethyl)pyrazine
PubChem CID70812915
Molecular FormulaC11H15F3N4
Molecular Weight260.26 g/mol
Exact Mass260.12
IUPAC Name2-[(2S)-2,4-dimethylpiperazin-1-yl]-6-(trifluoromethyl)pyrazine
SMILESC[C@H]1CN(C)CCN1c1cncc(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N4/c1-8-7-17(2)3-4-18(8)10-6-15-5-9(16-10)11(12,13)14/h5-6,8H,3-4,7H2,1-2H3/t8-/m0/s1
InChIKeyJIHVBYCTKHZPNF-QMMMGPOBSA-N
XLogP1.64
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Modaline
CID 17860
Pyrazine, 2-methyl-3-piperidino-, monohydrochloride
CID 83550
2-Methyl-3-(piperazin-1-yl)pyrazine
CID 45099710
N,N-diethyl-2-[4-(5-methylpyrazin-2-yl)piperazin-1-yl]ethanamine
CID 49778905
2-Methyl-6-piperazin-1-ylpyrazine;hydrochloride
CID 90674676
N,N,3-Trimethylpyrazin-2-amine
CID 44327689
3-(Diethylamino)pyrazine-2,5-dicarbonitrile
CID 57391054
N,N,3,6-tetramethylpyrazin-2-amine
CID 8009163
3-[4-(3,6-dimethyl-2-pyrazinyl)-1-piperazinyl]-N,N-diethyl-1-propanamine
CID 29188695
3-(4-Methylpiperazin-1-yl)pyrazine-2,5-dicarbonitrile
CID 57398119
2-Methyl-3-(piperazin-1-yl)pyrazine hydrochloride
CID 71639307
2,5-Dimethyl-3-piperazin-1-ylpyrazine;hydrochloride
CID 90674677

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2,4-dimethylpiperazin-1-yl]-6-(trifluoromethyl)pyrazine?
The IUPAC name of 2-[(2S)-2,4-dimethylpiperazin-1-yl]-6-(trifluoromethyl)pyrazine (CID 70812915) is 2-[(2S)-2,4-dimethylpiperazin-1-yl]-6-(trifluoromethyl)pyrazine.
What is the SMILES notation for 2-[(2S)-2,4-dimethylpiperazin-1-yl]-6-(trifluoromethyl)pyrazine?
The canonical SMILES for 2-[(2S)-2,4-dimethylpiperazin-1-yl]-6-(trifluoromethyl)pyrazine is C[C@H]1CN(C)CCN1c1cncc(C(F)(F)F)n1.
What is the InChIKey of 2-[(2S)-2,4-dimethylpiperazin-1-yl]-6-(trifluoromethyl)pyrazine?
The InChIKey is JIHVBYCTKHZPNF-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15F3N4/c1-8-7-17(2)3-4-18(8)10-6-15-5-9(16-10)11(12,13)14/h5-6,8H,3-4,7H2,1-2H3/t8-/m0/s1.
What are the key properties of 2-[(2S)-2,4-dimethylpiperazin-1-yl]-6-(trifluoromethyl)pyrazine?
2-[(2S)-2,4-dimethylpiperazin-1-yl]-6-(trifluoromethyl)pyrazine has a molecular weight of 260.26 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2,4-dimethylpiperazin-1-yl]-6-(trifluoromethyl)pyrazine is sourced from PubChem (CID 70812915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).