2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid

C10H12F3N3O3 — CID 79798892

IUPAC2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCCn1ccnc(NC(C)(C(=O)O)C(F)(F)F)c1=O
InChIInChI=1S/C10H12F3N3O3/c1-3-16-5-4-14-6(7(16)17)15-9(2,8(18)19)10(11,12)13/h4-5H,3H2,1-2H3,(H,14,15)(H,18,19)
InChIKeyWTLIYYJUSRXUGU-UHFFFAOYSA-N
MW279.22 g/mol
LogP1.08
Rot. Bonds4

About 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid

2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid (PubChem CID 79798892) has the molecular formula C10H12F3N3O3 and a molecular weight of 279.22 g/mol. Its IUPAC name is 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
PubChem CID79798892
Molecular FormulaC10H12F3N3O3
Molecular Weight279.22 g/mol
Exact Mass279.08
IUPAC Name2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCCn1ccnc(NC(C)(C(=O)O)C(F)(F)F)c1=O
InChIInChI=1S/C10H12F3N3O3/c1-3-16-5-4-14-6(7(16)17)15-9(2,8(18)19)10(11,12)13/h4-5H,3H2,1-2H3,(H,14,15)(H,18,19)
InChIKeyWTLIYYJUSRXUGU-UHFFFAOYSA-N
XLogP1.08
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The IUPAC name of 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid (CID 79798892) is 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid.
What is the SMILES notation for 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The canonical SMILES for 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid is CCn1ccnc(NC(C)(C(=O)O)C(F)(F)F)c1=O.
What is the InChIKey of 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The InChIKey is WTLIYYJUSRXUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O3/c1-3-16-5-4-14-6(7(16)17)15-9(2,8(18)19)10(11,12)13/h4-5H,3H2,1-2H3,(H,14,15)(H,18,19).
What are the key properties of 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid?
2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid has a molecular weight of 279.22 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid is sourced from PubChem (CID 79798892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).