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

C11H16F2N4 — CID 166704353

IUPAC2-(difluoromethyl)-5-[(3R,5R)-3,5-dimethylpiperazin-1-yl]pyrazine
SMILESC[C@@H]1CN(c2cnc(C(F)F)cn2)C[C@@H](C)N1
InChIInChI=1S/C11H16F2N4/c1-7-5-17(6-8(2)16-7)10-4-14-9(3-15-10)11(12)13/h3-4,7-8,11,16H,5-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyCBFUCSUOVWQUKY-HTQZYQBOSA-N
MW242.27 g/mol
LogP1.60
Rot. Bonds2

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

2-(difluoromethyl)-5-[(3R,5R)-3,5-dimethylpiperazin-1-yl]pyrazine (PubChem CID 166704353) has the molecular formula C11H16F2N4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[(3R,5R)-3,5-dimethylpiperazin-1-yl]pyrazine.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[(3R,5R)-3,5-dimethylpiperazin-1-yl]pyrazine
PubChem CID166704353
Molecular FormulaC11H16F2N4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name2-(difluoromethyl)-5-[(3R,5R)-3,5-dimethylpiperazin-1-yl]pyrazine
SMILESC[C@@H]1CN(c2cnc(C(F)F)cn2)C[C@@H](C)N1
InChIInChI=1S/C11H16F2N4/c1-7-5-17(6-8(2)16-7)10-4-14-9(3-15-10)11(12)13/h3-4,7-8,11,16H,5-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyCBFUCSUOVWQUKY-HTQZYQBOSA-N
XLogP1.60
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
3-(Piperazin-1-yl)pyrazine-2-carbonitrile
CID 2760441
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
2-Methyl-3-(piperazin-1-yl)pyrazine hydrochloride
CID 71639307
3-[2-[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]ethylamino]pyrazine-2-carbonitrile
CID 71978663
2,5-Dimethyl-3-piperazin-1-ylpyrazine;hydrochloride
CID 90674677
2,5-Dimethyl-3-piperazin-1-ylpyrazine
CID 3811910
3-(3-Methylpiperazin-1-yl)pyrazine-2-carbonitrile hydrochloride
CID 71755917

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[(3R,5R)-3,5-dimethylpiperazin-1-yl]pyrazine?
The IUPAC name of 2-(difluoromethyl)-5-[(3R,5R)-3,5-dimethylpiperazin-1-yl]pyrazine (CID 166704353) is 2-(difluoromethyl)-5-[(3R,5R)-3,5-dimethylpiperazin-1-yl]pyrazine.
What is the SMILES notation for 2-(difluoromethyl)-5-[(3R,5R)-3,5-dimethylpiperazin-1-yl]pyrazine?
The canonical SMILES for 2-(difluoromethyl)-5-[(3R,5R)-3,5-dimethylpiperazin-1-yl]pyrazine is C[C@@H]1CN(c2cnc(C(F)F)cn2)C[C@@H](C)N1.
What is the InChIKey of 2-(difluoromethyl)-5-[(3R,5R)-3,5-dimethylpiperazin-1-yl]pyrazine?
The InChIKey is CBFUCSUOVWQUKY-HTQZYQBOSA-N. The full InChI is InChI=1S/C11H16F2N4/c1-7-5-17(6-8(2)16-7)10-4-14-9(3-15-10)11(12)13/h3-4,7-8,11,16H,5-6H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of 2-(difluoromethyl)-5-[(3R,5R)-3,5-dimethylpiperazin-1-yl]pyrazine?
2-(difluoromethyl)-5-[(3R,5R)-3,5-dimethylpiperazin-1-yl]pyrazine has a molecular weight of 242.27 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[(3R,5R)-3,5-dimethylpiperazin-1-yl]pyrazine is sourced from PubChem (CID 166704353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).