2-(4-pyrazin-2-ylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

C12H16F3N5O — CID 35011430

IUPAC2-(4-pyrazin-2-ylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1CCN(c2cnccn2)CC1)NCC(F)(F)F
InChIInChI=1S/C12H16F3N5O/c13-12(14,15)9-18-11(21)8-19-3-5-20(6-4-19)10-7-16-1-2-17-10/h1-2,7H,3-6,8-9H2,(H,18,21)
InChIKeyWYUBIQYNWZJKKW-UHFFFAOYSA-N
MW303.29 g/mol
LogP0.28
Rot. Bonds4

About 2-(4-pyrazin-2-ylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(4-pyrazin-2-ylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 35011430) has the molecular formula C12H16F3N5O and a molecular weight of 303.29 g/mol. Its IUPAC name is 2-(4-pyrazin-2-ylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(4-pyrazin-2-ylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID35011430
Molecular FormulaC12H16F3N5O
Molecular Weight303.29 g/mol
Exact Mass303.13
IUPAC Name2-(4-pyrazin-2-ylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1CCN(c2cnccn2)CC1)NCC(F)(F)F
InChIInChI=1S/C12H16F3N5O/c13-12(14,15)9-18-11(21)8-19-3-5-20(6-4-19)10-7-16-1-2-17-10/h1-2,7H,3-6,8-9H2,(H,18,21)
InChIKeyWYUBIQYNWZJKKW-UHFFFAOYSA-N
XLogP0.28
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrazin-2-ylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(4-pyrazin-2-ylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 35011430) is 2-(4-pyrazin-2-ylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(4-pyrazin-2-ylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(4-pyrazin-2-ylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(CN1CCN(c2cnccn2)CC1)NCC(F)(F)F.
What is the InChIKey of 2-(4-pyrazin-2-ylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is WYUBIQYNWZJKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N5O/c13-12(14,15)9-18-11(21)8-19-3-5-20(6-4-19)10-7-16-1-2-17-10/h1-2,7H,3-6,8-9H2,(H,18,21).
What are the key properties of 2-(4-pyrazin-2-ylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(4-pyrazin-2-ylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 303.29 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrazin-2-ylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 35011430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).