CAS
130879-62-8 Purity
97%
130879-62-8 Purity
97%
If you have any other questions or need other size, please get a quote.
Specification
The molecular formula is C5H4F3N3.
The molecular weight is 163.10 g/mol.
The IUPAC name is 3-(trifluoromethyl)pyrazin-2-amine.
The InChI is InChI=1S/C5H4F3N3/c6-5(7,8)3-4(9)11-2-1-10-3/h1-2H,(H2,9,11).
The InChIKey is GDOQHWXDKQJKLT-UHFFFAOYSA-N.
The canonical SMILES is C1=CN=C(C(=N1)C(F)(F)F)N.
The compound has 1 hydrogen bond donor count.
The compound has 6 hydrogen bond acceptor counts.
The topological polar surface area is 51.8 Å2.
Yes, the compound is canonicalized.