5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrazin-2-amine

C11H16F3N5 — CID 103056328

IUPAC5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrazin-2-amine
SMILESNc1cnc(CN2CCN(CC(F)(F)F)CC2)cn1
InChIInChI=1S/C11H16F3N5/c12-11(13,14)8-19-3-1-18(2-4-19)7-9-5-17-10(15)6-16-9/h5-6H,1-4,7-8H2,(H2,15,17)
InChIKeyTXWZMUUFCLGIII-UHFFFAOYSA-N
MW275.28 g/mol
LogP0.74
Rot. Bonds3

About 5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrazin-2-amine

5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrazin-2-amine (PubChem CID 103056328) has the molecular formula C11H16F3N5 and a molecular weight of 275.28 g/mol. Its IUPAC name is 5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrazin-2-amine
PubChem CID103056328
Molecular FormulaC11H16F3N5
Molecular Weight275.28 g/mol
Exact Mass275.14
IUPAC Name5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrazin-2-amine
SMILESNc1cnc(CN2CCN(CC(F)(F)F)CC2)cn1
InChIInChI=1S/C11H16F3N5/c12-11(13,14)8-19-3-1-18(2-4-19)7-9-5-17-10(15)6-16-9/h5-6H,1-4,7-8H2,(H2,15,17)
InChIKeyTXWZMUUFCLGIII-UHFFFAOYSA-N
XLogP0.74
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrazin-2-amine?
The IUPAC name of 5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrazin-2-amine (CID 103056328) is 5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrazin-2-amine.
What is the SMILES notation for 5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrazin-2-amine?
The canonical SMILES for 5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrazin-2-amine is Nc1cnc(CN2CCN(CC(F)(F)F)CC2)cn1.
What is the InChIKey of 5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrazin-2-amine?
The InChIKey is TXWZMUUFCLGIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5/c12-11(13,14)8-19-3-1-18(2-4-19)7-9-5-17-10(15)6-16-9/h5-6H,1-4,7-8H2,(H2,15,17).
What are the key properties of 5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrazin-2-amine?
5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrazin-2-amine has a molecular weight of 275.28 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrazin-2-amine is sourced from PubChem (CID 103056328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).