N-pyrazin-2-yl-2-(2,2,2-trifluoroethylamino)acetamide

C8H9F3N4O — CID 79261775

IUPACN-pyrazin-2-yl-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)Nc1cnccn1
InChIInChI=1S/C8H9F3N4O/c9-8(10,11)5-13-4-7(16)15-6-3-12-1-2-14-6/h1-3,13H,4-5H2,(H,14,15,16)
InChIKeyBTLBOTNPYWCKFN-UHFFFAOYSA-N
MW234.18 g/mol
LogP0.57
Rot. Bonds4

About N-pyrazin-2-yl-2-(2,2,2-trifluoroethylamino)acetamide

N-pyrazin-2-yl-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 79261775) has the molecular formula C8H9F3N4O and a molecular weight of 234.18 g/mol. Its IUPAC name is N-pyrazin-2-yl-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-pyrazin-2-yl-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID79261775
Molecular FormulaC8H9F3N4O
Molecular Weight234.18 g/mol
Exact Mass234.07
IUPAC NameN-pyrazin-2-yl-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)Nc1cnccn1
InChIInChI=1S/C8H9F3N4O/c9-8(10,11)5-13-4-7(16)15-6-3-12-1-2-14-6/h1-3,13H,4-5H2,(H,14,15,16)
InChIKeyBTLBOTNPYWCKFN-UHFFFAOYSA-N
XLogP0.57
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-pyrazin-2-yl-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-pyrazin-2-yl-2-(2,2,2-trifluoroethylamino)acetamide (CID 79261775) is N-pyrazin-2-yl-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-pyrazin-2-yl-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-pyrazin-2-yl-2-(2,2,2-trifluoroethylamino)acetamide is O=C(CNCC(F)(F)F)Nc1cnccn1.
What is the InChIKey of N-pyrazin-2-yl-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is BTLBOTNPYWCKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N4O/c9-8(10,11)5-13-4-7(16)15-6-3-12-1-2-14-6/h1-3,13H,4-5H2,(H,14,15,16).
What are the key properties of N-pyrazin-2-yl-2-(2,2,2-trifluoroethylamino)acetamide?
N-pyrazin-2-yl-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 234.18 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrazin-2-yl-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 79261775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).