3-bromo-5-(trifluoromethyl)pyrazin-2-amine

C5H3BrF3N3 — CID 130115055

IUPAC3-bromo-5-(trifluoromethyl)pyrazin-2-amine
SMILESNc1ncc(C(F)(F)F)nc1Br
InChIInChI=1S/C5H3BrF3N3/c6-3-4(10)11-1-2(12-3)5(7,8)9/h1H,(H2,10,11)
InChIKeyBIFRXLZENADPCS-UHFFFAOYSA-N
MW242.00 g/mol
LogP1.84
Rot. Bonds

About 3-bromo-5-(trifluoromethyl)pyrazin-2-amine

3-bromo-5-(trifluoromethyl)pyrazin-2-amine (PubChem CID 130115055) has the molecular formula C5H3BrF3N3 and a molecular weight of 242.00 g/mol. Its IUPAC name is 3-bromo-5-(trifluoromethyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-bromo-5-(trifluoromethyl)pyrazin-2-amine
PubChem CID130115055
Molecular FormulaC5H3BrF3N3
Molecular Weight242.00 g/mol
Exact Mass240.95
IUPAC Name3-bromo-5-(trifluoromethyl)pyrazin-2-amine
SMILESNc1ncc(C(F)(F)F)nc1Br
InChIInChI=1S/C5H3BrF3N3/c6-3-4(10)11-1-2(12-3)5(7,8)9/h1H,(H2,10,11)
InChIKeyBIFRXLZENADPCS-UHFFFAOYSA-N
XLogP1.84
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.00
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(trifluoromethyl)pyrazin-2-amine?
The IUPAC name of 3-bromo-5-(trifluoromethyl)pyrazin-2-amine (CID 130115055) is 3-bromo-5-(trifluoromethyl)pyrazin-2-amine.
What is the SMILES notation for 3-bromo-5-(trifluoromethyl)pyrazin-2-amine?
The canonical SMILES for 3-bromo-5-(trifluoromethyl)pyrazin-2-amine is Nc1ncc(C(F)(F)F)nc1Br.
What is the InChIKey of 3-bromo-5-(trifluoromethyl)pyrazin-2-amine?
The InChIKey is BIFRXLZENADPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrF3N3/c6-3-4(10)11-1-2(12-3)5(7,8)9/h1H,(H2,10,11).
What are the key properties of 3-bromo-5-(trifluoromethyl)pyrazin-2-amine?
3-bromo-5-(trifluoromethyl)pyrazin-2-amine has a molecular weight of 242.00 g/mol, XLogP of 1.84, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(trifluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 130115055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).