2-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-5-(trifluoromethyl)pyrazine

C11H15F3N4 — CID 129105454

IUPAC2-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-5-(trifluoromethyl)pyrazine
SMILESC[C@@H]1CN(c2cnc(C(F)(F)F)cn2)C[C@@H](C)N1
InChIInChI=1S/C11H15F3N4/c1-7-5-18(6-8(2)17-7)10-4-15-9(3-16-10)11(12,13)14/h3-4,7-8,17H,5-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyFBRUWWNKCXUOMS-HTQZYQBOSA-N
MW260.26 g/mol
LogP1.68
Rot. Bonds1

About 2-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-5-(trifluoromethyl)pyrazine

2-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-5-(trifluoromethyl)pyrazine (PubChem CID 129105454) has the molecular formula C11H15F3N4 and a molecular weight of 260.26 g/mol. Its IUPAC name is 2-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-5-(trifluoromethyl)pyrazine.

Molecular Properties

Compound Name2-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-5-(trifluoromethyl)pyrazine
PubChem CID129105454
Molecular FormulaC11H15F3N4
Molecular Weight260.26 g/mol
Exact Mass260.12
IUPAC Name2-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-5-(trifluoromethyl)pyrazine
SMILESC[C@@H]1CN(c2cnc(C(F)(F)F)cn2)C[C@@H](C)N1
InChIInChI=1S/C11H15F3N4/c1-7-5-18(6-8(2)17-7)10-4-15-9(3-16-10)11(12,13)14/h3-4,7-8,17H,5-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyFBRUWWNKCXUOMS-HTQZYQBOSA-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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Related Compounds

Modaline
CID 17860
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,3-Dimethylpyrazin-2-amine
CID 44327445
3-(Piperazin-1-yl)pyrazine-2-carbonitrile
CID 2760441
6-(Trifluoromethyl)pyrazin-2-amine
CID 13341114
5-(Trifluoromethyl)pyrazin-2-amine
CID 13341115
N,6-dimethylpyrazin-2-amine
CID 55286460
3-[4-(3,6-dimethyl-2-pyrazinyl)-1-piperazinyl]-N,N-diethyl-1-propanamine
CID 29188695
3-(Propylamino)pyrazine-2,5-dicarbonitrile
CID 57396422
3-(4-Methylpiperazin-1-yl)pyrazine-2,5-dicarbonitrile
CID 57398119

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-5-(trifluoromethyl)pyrazine?
The IUPAC name of 2-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-5-(trifluoromethyl)pyrazine (CID 129105454) is 2-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-5-(trifluoromethyl)pyrazine.
What is the SMILES notation for 2-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-5-(trifluoromethyl)pyrazine?
The canonical SMILES for 2-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-5-(trifluoromethyl)pyrazine is C[C@@H]1CN(c2cnc(C(F)(F)F)cn2)C[C@@H](C)N1.
What is the InChIKey of 2-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-5-(trifluoromethyl)pyrazine?
The InChIKey is FBRUWWNKCXUOMS-HTQZYQBOSA-N. The full InChI is InChI=1S/C11H15F3N4/c1-7-5-18(6-8(2)17-7)10-4-15-9(3-16-10)11(12,13)14/h3-4,7-8,17H,5-6H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of 2-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-5-(trifluoromethyl)pyrazine?
2-[(3R,5R)-3,5-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-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-5-(trifluoromethyl)pyrazine is sourced from PubChem (CID 129105454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).