N-(trifluoromethyl)pyrazin-2-amine

C5H4F3N3 — CID 22046334

IUPACN-(trifluoromethyl)pyrazin-2-amine
SMILESFC(F)(F)Nc1cnccn1
InChIInChI=1S/C5H4F3N3/c6-5(7,8)11-4-3-9-1-2-10-4/h1-3H,(H,10,11)
InChIKeyXUVMAOOIJJOPGR-UHFFFAOYSA-N
MW163.10 g/mol
LogP1.41
Rot. Bonds1

About N-(trifluoromethyl)pyrazin-2-amine

N-(trifluoromethyl)pyrazin-2-amine (PubChem CID 22046334) has the molecular formula C5H4F3N3 and a molecular weight of 163.10 g/mol. Its IUPAC name is N-(trifluoromethyl)pyrazin-2-amine.

Molecular Properties

Compound NameN-(trifluoromethyl)pyrazin-2-amine
PubChem CID22046334
Molecular FormulaC5H4F3N3
Molecular Weight163.10 g/mol
Exact Mass163.04
IUPAC NameN-(trifluoromethyl)pyrazin-2-amine
SMILESFC(F)(F)Nc1cnccn1
InChIInChI=1S/C5H4F3N3/c6-5(7,8)11-4-3-9-1-2-10-4/h1-3H,(H,10,11)
InChIKeyXUVMAOOIJJOPGR-UHFFFAOYSA-N
XLogP1.41
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.10
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(trifluoromethyl)pyrazin-2-amine?
The IUPAC name of N-(trifluoromethyl)pyrazin-2-amine (CID 22046334) is N-(trifluoromethyl)pyrazin-2-amine.
What is the SMILES notation for N-(trifluoromethyl)pyrazin-2-amine?
The canonical SMILES for N-(trifluoromethyl)pyrazin-2-amine is FC(F)(F)Nc1cnccn1.
What is the InChIKey of N-(trifluoromethyl)pyrazin-2-amine?
The InChIKey is XUVMAOOIJJOPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3N3/c6-5(7,8)11-4-3-9-1-2-10-4/h1-3H,(H,10,11).
What are the key properties of N-(trifluoromethyl)pyrazin-2-amine?
N-(trifluoromethyl)pyrazin-2-amine has a molecular weight of 163.10 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trifluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 22046334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).