3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazine-2-carbonitrile

C16H14F3N5 — CID 163351981

IUPAC3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C16H14F3N5/c17-16(18,19)12-2-1-3-13(10-12)23-6-8-24(9-7-23)15-14(11-20)21-4-5-22-15/h1-5,10H,6-9H2
InChIKeyWODSORTXXAIRAH-UHFFFAOYSA-N
MW333.32 g/mol
LogP2.69
Rot. Bonds2

About 3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazine-2-carbonitrile

3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazine-2-carbonitrile (PubChem CID 163351981) has the molecular formula C16H14F3N5 and a molecular weight of 333.32 g/mol. Its IUPAC name is 3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazine-2-carbonitrile
PubChem CID163351981
Molecular FormulaC16H14F3N5
Molecular Weight333.32 g/mol
Exact Mass333.12
IUPAC Name3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C16H14F3N5/c17-16(18,19)12-2-1-3-13(10-12)23-6-8-24(9-7-23)15-14(11-20)21-4-5-22-15/h1-5,10H,6-9H2
InChIKeyWODSORTXXAIRAH-UHFFFAOYSA-N
XLogP2.69
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(3-methoxyphenyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 163352079
3-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propylamino]pyrazine-2-carbonitrile
CID 71934202
1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 110452554
3-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 171335787
1-methyl-3-(trifluoromethyl)-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazole-4-carbonitrile
CID 3706236
3-[3-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]pyrazine-2-carbonitrile
CID 139028746
2,4-dimethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,2,4-triazine-3,5-dione
CID 58269761
1-[3-(trifluoromethyl)phenyl]piperidine;hydrobromide
CID 171925021
3-[4-(6-amino-3-pyridinyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 62683141
4-pyrrolidin-1-yl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine
CID 122282293
3-[1-methyl-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propanenitrile
CID 3045655
1-(4-bromophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 169336754

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazine-2-carbonitrile (CID 163351981) is 3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazine-2-carbonitrile is N#Cc1nccnc1N1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is WODSORTXXAIRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5/c17-16(18,19)12-2-1-3-13(10-12)23-6-8-24(9-7-23)15-14(11-20)21-4-5-22-15/h1-5,10H,6-9H2.
What are the key properties of 3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazine-2-carbonitrile?
3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 333.32 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 163351981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).