N-(2,2,2-trifluoroethyl)pyrazin-2-amine

C6H6F3N3 — CID 29297647

IUPACN-(2,2,2-trifluoroethyl)pyrazin-2-amine
SMILESFC(F)(F)CNc1cnccn1
InChIInChI=1S/C6H6F3N3/c7-6(8,9)4-12-5-3-10-1-2-11-5/h1-3H,4H2,(H,11,12)
InChIKeyBZIWOOOPATVOKR-UHFFFAOYSA-N
MW177.13 g/mol
LogP1.45
Rot. Bonds2

About N-(2,2,2-trifluoroethyl)pyrazin-2-amine

N-(2,2,2-trifluoroethyl)pyrazin-2-amine (PubChem CID 29297647) has the molecular formula C6H6F3N3 and a molecular weight of 177.13 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)pyrazin-2-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)pyrazin-2-amine
PubChem CID29297647
Molecular FormulaC6H6F3N3
Molecular Weight177.13 g/mol
Exact Mass177.05
IUPAC NameN-(2,2,2-trifluoroethyl)pyrazin-2-amine
SMILESFC(F)(F)CNc1cnccn1
InChIInChI=1S/C6H6F3N3/c7-6(8,9)4-12-5-3-10-1-2-11-5/h1-3H,4H2,(H,11,12)
InChIKeyBZIWOOOPATVOKR-UHFFFAOYSA-N
XLogP1.45
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.13
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)pyrazin-2-amine?
The IUPAC name of N-(2,2,2-trifluoroethyl)pyrazin-2-amine (CID 29297647) is N-(2,2,2-trifluoroethyl)pyrazin-2-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)pyrazin-2-amine?
The canonical SMILES for N-(2,2,2-trifluoroethyl)pyrazin-2-amine is FC(F)(F)CNc1cnccn1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)pyrazin-2-amine?
The InChIKey is BZIWOOOPATVOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3/c7-6(8,9)4-12-5-3-10-1-2-11-5/h1-3H,4H2,(H,11,12).
What are the key properties of N-(2,2,2-trifluoroethyl)pyrazin-2-amine?
N-(2,2,2-trifluoroethyl)pyrazin-2-amine has a molecular weight of 177.13 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)pyrazin-2-amine is sourced from PubChem (CID 29297647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).