2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)pyrazine

C10H13F3N4 — CID 70812423

IUPAC2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)pyrazine
SMILESCN1CCN(c2cncc(C(F)(F)F)n2)CC1
InChIInChI=1S/C10H13F3N4/c1-16-2-4-17(5-3-16)9-7-14-6-8(15-9)10(11,12)13/h6-7H,2-5H2,1H3
InChIKeyASPBQBHVSAHOIZ-UHFFFAOYSA-N
MW246.24 g/mol
LogP1.25
Rot. Bonds1

About 2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)pyrazine

2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)pyrazine (PubChem CID 70812423) has the molecular formula C10H13F3N4 and a molecular weight of 246.24 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)pyrazine.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)pyrazine
PubChem CID70812423
Molecular FormulaC10H13F3N4
Molecular Weight246.24 g/mol
Exact Mass246.11
IUPAC Name2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)pyrazine
SMILESCN1CCN(c2cncc(C(F)(F)F)n2)CC1
InChIInChI=1S/C10H13F3N4/c1-16-2-4-17(5-3-16)9-7-14-6-8(15-9)10(11,12)13/h6-7H,2-5H2,1H3
InChIKeyASPBQBHVSAHOIZ-UHFFFAOYSA-N
XLogP1.25
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 51.25
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-(Piperazin-1-yl)pyrazine-2-carbonitrile
CID 2760441
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)pyrazine?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)pyrazine (CID 70812423) is 2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)pyrazine.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)pyrazine?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)pyrazine is CN1CCN(c2cncc(C(F)(F)F)n2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)pyrazine?
The InChIKey is ASPBQBHVSAHOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4/c1-16-2-4-17(5-3-16)9-7-14-6-8(15-9)10(11,12)13/h6-7H,2-5H2,1H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)pyrazine?
2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)pyrazine has a molecular weight of 246.24 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)pyrazine is sourced from PubChem (CID 70812423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).