2-amino-N-(5-bromopyrazin-2-yl)-3,3,3-trifluoro-2-methylpropanamide

C8H8BrF3N4O — CID 79810922

IUPAC2-amino-N-(5-bromopyrazin-2-yl)-3,3,3-trifluoro-2-methylpropanamide
SMILESCC(N)(C(=O)Nc1cnc(Br)cn1)C(F)(F)F
InChIInChI=1S/C8H8BrF3N4O/c1-7(13,8(10,11)12)6(17)16-5-3-14-4(9)2-15-5/h2-3H,13H2,1H3,(H,15,16,17)
InChIKeyRSLDEHDEVCIEBA-UHFFFAOYSA-N
MW313.08 g/mol
LogP1.46
Rot. Bonds2

About 2-amino-N-(5-bromopyrazin-2-yl)-3,3,3-trifluoro-2-methylpropanamide

2-amino-N-(5-bromopyrazin-2-yl)-3,3,3-trifluoro-2-methylpropanamide (PubChem CID 79810922) has the molecular formula C8H8BrF3N4O and a molecular weight of 313.08 g/mol. Its IUPAC name is 2-amino-N-(5-bromopyrazin-2-yl)-3,3,3-trifluoro-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-(5-bromopyrazin-2-yl)-3,3,3-trifluoro-2-methylpropanamide
PubChem CID79810922
Molecular FormulaC8H8BrF3N4O
Molecular Weight313.08 g/mol
Exact Mass311.98
IUPAC Name2-amino-N-(5-bromopyrazin-2-yl)-3,3,3-trifluoro-2-methylpropanamide
SMILESCC(N)(C(=O)Nc1cnc(Br)cn1)C(F)(F)F
InChIInChI=1S/C8H8BrF3N4O/c1-7(13,8(10,11)12)6(17)16-5-3-14-4(9)2-15-5/h2-3H,13H2,1H3,(H,15,16,17)
InChIKeyRSLDEHDEVCIEBA-UHFFFAOYSA-N
XLogP1.46
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.08
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-bromopyrazin-2-yl)-3,3,3-trifluoro-2-methylpropanamide?
The IUPAC name of 2-amino-N-(5-bromopyrazin-2-yl)-3,3,3-trifluoro-2-methylpropanamide (CID 79810922) is 2-amino-N-(5-bromopyrazin-2-yl)-3,3,3-trifluoro-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-(5-bromopyrazin-2-yl)-3,3,3-trifluoro-2-methylpropanamide?
The canonical SMILES for 2-amino-N-(5-bromopyrazin-2-yl)-3,3,3-trifluoro-2-methylpropanamide is CC(N)(C(=O)Nc1cnc(Br)cn1)C(F)(F)F.
What is the InChIKey of 2-amino-N-(5-bromopyrazin-2-yl)-3,3,3-trifluoro-2-methylpropanamide?
The InChIKey is RSLDEHDEVCIEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF3N4O/c1-7(13,8(10,11)12)6(17)16-5-3-14-4(9)2-15-5/h2-3H,13H2,1H3,(H,15,16,17).
What are the key properties of 2-amino-N-(5-bromopyrazin-2-yl)-3,3,3-trifluoro-2-methylpropanamide?
2-amino-N-(5-bromopyrazin-2-yl)-3,3,3-trifluoro-2-methylpropanamide has a molecular weight of 313.08 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-bromopyrazin-2-yl)-3,3,3-trifluoro-2-methylpropanamide is sourced from PubChem (CID 79810922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).