5-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]pyrazine-2-carbonitrile

C14H18F3N5 — CID 133485428

IUPAC5-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(NCCC2CCN(CC(F)(F)F)CC2)cn1
InChIInChI=1S/C14H18F3N5/c15-14(16,17)10-22-5-2-11(3-6-22)1-4-19-13-9-20-12(7-18)8-21-13/h8-9,11H,1-6,10H2,(H,19,21)
InChIKeyHOWHBHHTHODJNO-UHFFFAOYSA-N
MW313.33 g/mol
LogP2.42
Rot. Bonds5

About 5-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]pyrazine-2-carbonitrile

5-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]pyrazine-2-carbonitrile (PubChem CID 133485428) has the molecular formula C14H18F3N5 and a molecular weight of 313.33 g/mol. Its IUPAC name is 5-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]pyrazine-2-carbonitrile
PubChem CID133485428
Molecular FormulaC14H18F3N5
Molecular Weight313.33 g/mol
Exact Mass313.15
IUPAC Name5-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(NCCC2CCN(CC(F)(F)F)CC2)cn1
InChIInChI=1S/C14H18F3N5/c15-14(16,17)10-22-5-2-11(3-6-22)1-4-19-13-9-20-12(7-18)8-21-13/h8-9,11H,1-6,10H2,(H,19,21)
InChIKeyHOWHBHHTHODJNO-UHFFFAOYSA-N
XLogP2.42
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]pyrazine-2-carbonitrile (CID 133485428) is 5-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]pyrazine-2-carbonitrile is N#Cc1cnc(NCCC2CCN(CC(F)(F)F)CC2)cn1.
What is the InChIKey of 5-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]pyrazine-2-carbonitrile?
The InChIKey is HOWHBHHTHODJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N5/c15-14(16,17)10-22-5-2-11(3-6-22)1-4-19-13-9-20-12(7-18)8-21-13/h8-9,11H,1-6,10H2,(H,19,21).
What are the key properties of 5-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]pyrazine-2-carbonitrile?
5-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]pyrazine-2-carbonitrile has a molecular weight of 313.33 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 133485428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).