6-chloro-3-(trifluoromethyl)pyrazin-2-amine

C5H3ClF3N3 — CID 134818825

IUPAC6-chloro-3-(trifluoromethyl)pyrazin-2-amine
SMILESNc1nc(Cl)cnc1C(F)(F)F
InChIInChI=1S/C5H3ClF3N3/c6-2-1-11-3(4(10)12-2)5(7,8)9/h1H,(H2,10,12)
InChIKeyTUQUCIDAJDUCOE-UHFFFAOYSA-N
MW197.55 g/mol
LogP1.73
Rot. Bonds

About 6-chloro-3-(trifluoromethyl)pyrazin-2-amine

6-chloro-3-(trifluoromethyl)pyrazin-2-amine (PubChem CID 134818825) has the molecular formula C5H3ClF3N3 and a molecular weight of 197.55 g/mol. Its IUPAC name is 6-chloro-3-(trifluoromethyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-3-(trifluoromethyl)pyrazin-2-amine
PubChem CID134818825
Molecular FormulaC5H3ClF3N3
Molecular Weight197.55 g/mol
Exact Mass197.00
IUPAC Name6-chloro-3-(trifluoromethyl)pyrazin-2-amine
SMILESNc1nc(Cl)cnc1C(F)(F)F
InChIInChI=1S/C5H3ClF3N3/c6-2-1-11-3(4(10)12-2)5(7,8)9/h1H,(H2,10,12)
InChIKeyTUQUCIDAJDUCOE-UHFFFAOYSA-N
XLogP1.73
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.55
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(trifluoromethyl)pyrazin-2-amine?
The IUPAC name of 6-chloro-3-(trifluoromethyl)pyrazin-2-amine (CID 134818825) is 6-chloro-3-(trifluoromethyl)pyrazin-2-amine.
What is the SMILES notation for 6-chloro-3-(trifluoromethyl)pyrazin-2-amine?
The canonical SMILES for 6-chloro-3-(trifluoromethyl)pyrazin-2-amine is Nc1nc(Cl)cnc1C(F)(F)F.
What is the InChIKey of 6-chloro-3-(trifluoromethyl)pyrazin-2-amine?
The InChIKey is TUQUCIDAJDUCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClF3N3/c6-2-1-11-3(4(10)12-2)5(7,8)9/h1H,(H2,10,12).
What are the key properties of 6-chloro-3-(trifluoromethyl)pyrazin-2-amine?
6-chloro-3-(trifluoromethyl)pyrazin-2-amine has a molecular weight of 197.55 g/mol, XLogP of 1.73, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(trifluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 134818825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).