3-(2,2,2-trifluoroethylamino)pyrazine-2-carboxylic acid

C7H6F3N3O2 — CID 62709768

IUPAC3-(2,2,2-trifluoroethylamino)pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1NCC(F)(F)F
InChIInChI=1S/C7H6F3N3O2/c8-7(9,10)3-13-5-4(6(14)15)11-1-2-12-5/h1-2H,3H2,(H,12,13)(H,14,15)
InChIKeyQTENXBPCTBTJQP-UHFFFAOYSA-N
MW221.14 g/mol
LogP1.15
Rot. Bonds3

About 3-(2,2,2-trifluoroethylamino)pyrazine-2-carboxylic acid

3-(2,2,2-trifluoroethylamino)pyrazine-2-carboxylic acid (PubChem CID 62709768) has the molecular formula C7H6F3N3O2 and a molecular weight of 221.14 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethylamino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethylamino)pyrazine-2-carboxylic acid
PubChem CID62709768
Molecular FormulaC7H6F3N3O2
Molecular Weight221.14 g/mol
Exact Mass221.04
IUPAC Name3-(2,2,2-trifluoroethylamino)pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1NCC(F)(F)F
InChIInChI=1S/C7H6F3N3O2/c8-7(9,10)3-13-5-4(6(14)15)11-1-2-12-5/h1-2H,3H2,(H,12,13)(H,14,15)
InChIKeyQTENXBPCTBTJQP-UHFFFAOYSA-N
XLogP1.15
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.14
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 21897334
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CID 18521600
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CID 168277678
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CID 10511603
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CID 818291
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CID 1282536
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CID 4218930
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CID 12319185
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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethylamino)pyrazine-2-carboxylic acid?
The IUPAC name of 3-(2,2,2-trifluoroethylamino)pyrazine-2-carboxylic acid (CID 62709768) is 3-(2,2,2-trifluoroethylamino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-(2,2,2-trifluoroethylamino)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-(2,2,2-trifluoroethylamino)pyrazine-2-carboxylic acid is O=C(O)c1nccnc1NCC(F)(F)F.
What is the InChIKey of 3-(2,2,2-trifluoroethylamino)pyrazine-2-carboxylic acid?
The InChIKey is QTENXBPCTBTJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3O2/c8-7(9,10)3-13-5-4(6(14)15)11-1-2-12-5/h1-2H,3H2,(H,12,13)(H,14,15).
What are the key properties of 3-(2,2,2-trifluoroethylamino)pyrazine-2-carboxylic acid?
3-(2,2,2-trifluoroethylamino)pyrazine-2-carboxylic acid has a molecular weight of 221.14 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethylamino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 62709768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).