4-pyrazin-2-yl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide

C11H14F3N5O — CID 33388808

IUPAC4-pyrazin-2-yl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
SMILESO=C(NCC(F)(F)F)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C11H14F3N5O/c12-11(13,14)8-17-10(20)19-5-3-18(4-6-19)9-7-15-1-2-16-9/h1-2,7H,3-6,8H2,(H,17,20)
InChIKeyZBYUMCYCOSBEEA-UHFFFAOYSA-N
MW289.26 g/mol
LogP0.87
Rot. Bonds2

About 4-pyrazin-2-yl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide

4-pyrazin-2-yl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide (PubChem CID 33388808) has the molecular formula C11H14F3N5O and a molecular weight of 289.26 g/mol. Its IUPAC name is 4-pyrazin-2-yl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-pyrazin-2-yl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
PubChem CID33388808
Molecular FormulaC11H14F3N5O
Molecular Weight289.26 g/mol
Exact Mass289.12
IUPAC Name4-pyrazin-2-yl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
SMILESO=C(NCC(F)(F)F)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C11H14F3N5O/c12-11(13,14)8-17-10(20)19-5-3-18(4-6-19)9-7-15-1-2-16-9/h1-2,7H,3-6,8H2,(H,17,20)
InChIKeyZBYUMCYCOSBEEA-UHFFFAOYSA-N
XLogP0.87
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-pyrazin-2-yl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The IUPAC name of 4-pyrazin-2-yl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide (CID 33388808) is 4-pyrazin-2-yl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-pyrazin-2-yl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-pyrazin-2-yl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide is O=C(NCC(F)(F)F)N1CCN(c2cnccn2)CC1.
What is the InChIKey of 4-pyrazin-2-yl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The InChIKey is ZBYUMCYCOSBEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N5O/c12-11(13,14)8-17-10(20)19-5-3-18(4-6-19)9-7-15-1-2-16-9/h1-2,7H,3-6,8H2,(H,17,20).
What are the key properties of 4-pyrazin-2-yl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
4-pyrazin-2-yl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide has a molecular weight of 289.26 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazin-2-yl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide is sourced from PubChem (CID 33388808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).