3-[ethyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid

C9H10F3N3O2 — CID 62703363

IUPAC3-[ethyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid
SMILESCCN(CC(F)(F)F)c1nccnc1C(=O)O
InChIInChI=1S/C9H10F3N3O2/c1-2-15(5-9(10,11)12)7-6(8(16)17)13-3-4-14-7/h3-4H,2,5H2,1H3,(H,16,17)
InChIKeyXNBDJTKFXDHIHE-UHFFFAOYSA-N
MW249.19 g/mol
LogP1.56
Rot. Bonds4

About 3-[ethyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid

3-[ethyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid (PubChem CID 62703363) has the molecular formula C9H10F3N3O2 and a molecular weight of 249.19 g/mol. Its IUPAC name is 3-[ethyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[ethyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid
PubChem CID62703363
Molecular FormulaC9H10F3N3O2
Molecular Weight249.19 g/mol
Exact Mass249.07
IUPAC Name3-[ethyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid
SMILESCCN(CC(F)(F)F)c1nccnc1C(=O)O
InChIInChI=1S/C9H10F3N3O2/c1-2-15(5-9(10,11)12)7-6(8(16)17)13-3-4-14-7/h3-4H,2,5H2,1H3,(H,16,17)
InChIKeyXNBDJTKFXDHIHE-UHFFFAOYSA-N
XLogP1.56
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 10511603
CID 10511603
CID 818291
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CID 1282536
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CID 20623657
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CID 20699543
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CID 45789762
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CID 64273735
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CID 137940810
CID 137940810

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[ethyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid (CID 62703363) is 3-[ethyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[ethyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[ethyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid is CCN(CC(F)(F)F)c1nccnc1C(=O)O.
What is the InChIKey of 3-[ethyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid?
The InChIKey is XNBDJTKFXDHIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O2/c1-2-15(5-9(10,11)12)7-6(8(16)17)13-3-4-14-7/h3-4H,2,5H2,1H3,(H,16,17).
What are the key properties of 3-[ethyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid?
3-[ethyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid has a molecular weight of 249.19 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 62703363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).