2-[pyrazin-2-yl(2,2,2-trifluoroethyl)amino]acetic acid

C8H8F3N3O2 — CID 79257834

IUPAC2-[pyrazin-2-yl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)c1cnccn1
InChIInChI=1S/C8H8F3N3O2/c9-8(10,11)5-14(4-7(15)16)6-3-12-1-2-13-6/h1-3H,4-5H2,(H,15,16)
InChIKeyLDTPUFSNOSBXFX-UHFFFAOYSA-N
MW235.16 g/mol
LogP0.93
Rot. Bonds4

About 2-[pyrazin-2-yl(2,2,2-trifluoroethyl)amino]acetic acid

2-[pyrazin-2-yl(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79257834) has the molecular formula C8H8F3N3O2 and a molecular weight of 235.16 g/mol. Its IUPAC name is 2-[pyrazin-2-yl(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[pyrazin-2-yl(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79257834
Molecular FormulaC8H8F3N3O2
Molecular Weight235.16 g/mol
Exact Mass235.06
IUPAC Name2-[pyrazin-2-yl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)c1cnccn1
InChIInChI=1S/C8H8F3N3O2/c9-8(10,11)5-14(4-7(15)16)6-3-12-1-2-13-6/h1-3H,4-5H2,(H,15,16)
InChIKeyLDTPUFSNOSBXFX-UHFFFAOYSA-N
XLogP0.93
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[pyrazin-2-yl(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[pyrazin-2-yl(2,2,2-trifluoroethyl)amino]acetic acid (CID 79257834) is 2-[pyrazin-2-yl(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[pyrazin-2-yl(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[pyrazin-2-yl(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC(F)(F)F)c1cnccn1.
What is the InChIKey of 2-[pyrazin-2-yl(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is LDTPUFSNOSBXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O2/c9-8(10,11)5-14(4-7(15)16)6-3-12-1-2-13-6/h1-3H,4-5H2,(H,15,16).
What are the key properties of 2-[pyrazin-2-yl(2,2,2-trifluoroethyl)amino]acetic acid?
2-[pyrazin-2-yl(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 235.16 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[pyrazin-2-yl(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79257834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).