2-[(3,6-dimethylpyrazin-2-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid

C10H12F3N3O2 — CID 79798710

IUPAC2-[(3,6-dimethylpyrazin-2-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCc1cnc(C)c(NC(C)(C(=O)O)C(F)(F)F)n1
InChIInChI=1S/C10H12F3N3O2/c1-5-4-14-6(2)7(15-5)16-9(3,8(17)18)10(11,12)13/h4H,1-3H3,(H,15,16)(H,17,18)
InChIKeyKRONJUJGBYWLCU-UHFFFAOYSA-N
MW263.22 g/mol
LogP1.91
Rot. Bonds3

About 2-[(3,6-dimethylpyrazin-2-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid

2-[(3,6-dimethylpyrazin-2-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid (PubChem CID 79798710) has the molecular formula C10H12F3N3O2 and a molecular weight of 263.22 g/mol. Its IUPAC name is 2-[(3,6-dimethylpyrazin-2-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(3,6-dimethylpyrazin-2-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
PubChem CID79798710
Molecular FormulaC10H12F3N3O2
Molecular Weight263.22 g/mol
Exact Mass263.09
IUPAC Name2-[(3,6-dimethylpyrazin-2-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCc1cnc(C)c(NC(C)(C(=O)O)C(F)(F)F)n1
InChIInChI=1S/C10H12F3N3O2/c1-5-4-14-6(2)7(15-5)16-9(3,8(17)18)10(11,12)13/h4H,1-3H3,(H,15,16)(H,17,18)
InChIKeyKRONJUJGBYWLCU-UHFFFAOYSA-N
XLogP1.91
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,6-dimethylpyrazin-2-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The IUPAC name of 2-[(3,6-dimethylpyrazin-2-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid (CID 79798710) is 2-[(3,6-dimethylpyrazin-2-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid.
What is the SMILES notation for 2-[(3,6-dimethylpyrazin-2-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The canonical SMILES for 2-[(3,6-dimethylpyrazin-2-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid is Cc1cnc(C)c(NC(C)(C(=O)O)C(F)(F)F)n1.
What is the InChIKey of 2-[(3,6-dimethylpyrazin-2-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The InChIKey is KRONJUJGBYWLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2/c1-5-4-14-6(2)7(15-5)16-9(3,8(17)18)10(11,12)13/h4H,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(3,6-dimethylpyrazin-2-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid?
2-[(3,6-dimethylpyrazin-2-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid has a molecular weight of 263.22 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,6-dimethylpyrazin-2-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid is sourced from PubChem (CID 79798710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).