2,2,2-trifluoro-N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine

C9H8F3N5O — CID 79257687

IUPAC2,2,2-trifluoro-N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
SMILESFC(F)(F)CNCc1nc(-c2cnccn2)no1
InChIInChI=1S/C9H8F3N5O/c10-9(11,12)5-14-4-7-16-8(17-18-7)6-3-13-1-2-15-6/h1-3,14H,4-5H2
InChIKeyLENIINLHQJGFKU-UHFFFAOYSA-N
MW259.19 g/mol
LogP1.18
Rot. Bonds4

About 2,2,2-trifluoro-N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine

2,2,2-trifluoro-N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine (PubChem CID 79257687) has the molecular formula C9H8F3N5O and a molecular weight of 259.19 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
PubChem CID79257687
Molecular FormulaC9H8F3N5O
Molecular Weight259.19 g/mol
Exact Mass259.07
IUPAC Name2,2,2-trifluoro-N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
SMILESFC(F)(F)CNCc1nc(-c2cnccn2)no1
InChIInChI=1S/C9H8F3N5O/c10-9(11,12)5-14-4-7-16-8(17-18-7)6-3-13-1-2-15-6/h1-3,14H,4-5H2
InChIKeyLENIINLHQJGFKU-UHFFFAOYSA-N
XLogP1.18
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.19
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine (CID 79257687) is 2,2,2-trifluoro-N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine is FC(F)(F)CNCc1nc(-c2cnccn2)no1.
What is the InChIKey of 2,2,2-trifluoro-N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The InChIKey is LENIINLHQJGFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N5O/c10-9(11,12)5-14-4-7-16-8(17-18-7)6-3-13-1-2-15-6/h1-3,14H,4-5H2.
What are the key properties of 2,2,2-trifluoro-N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
2,2,2-trifluoro-N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine has a molecular weight of 259.19 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 79257687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).