6-[propyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid

C10H12F3N3O2 — CID 66449104

IUPAC6-[propyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid
SMILESCCCN(CC(F)(F)F)c1cncc(C(=O)O)n1
InChIInChI=1S/C10H12F3N3O2/c1-2-3-16(6-10(11,12)13)8-5-14-4-7(15-8)9(17)18/h4-5H,2-3,6H2,1H3,(H,17,18)
InChIKeyFMMKLZQEFLEMNL-UHFFFAOYSA-N
MW263.22 g/mol
LogP1.95
Rot. Bonds5

About 6-[propyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid

6-[propyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid (PubChem CID 66449104) has the molecular formula C10H12F3N3O2 and a molecular weight of 263.22 g/mol. Its IUPAC name is 6-[propyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-[propyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid
PubChem CID66449104
Molecular FormulaC10H12F3N3O2
Molecular Weight263.22 g/mol
Exact Mass263.09
IUPAC Name6-[propyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid
SMILESCCCN(CC(F)(F)F)c1cncc(C(=O)O)n1
InChIInChI=1S/C10H12F3N3O2/c1-2-3-16(6-10(11,12)13)8-5-14-4-7(15-8)9(17)18/h4-5H,2-3,6H2,1H3,(H,17,18)
InChIKeyFMMKLZQEFLEMNL-UHFFFAOYSA-N
XLogP1.95
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[propyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 6-[propyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid (CID 66449104) is 6-[propyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-[propyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 6-[propyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid is CCCN(CC(F)(F)F)c1cncc(C(=O)O)n1.
What is the InChIKey of 6-[propyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid?
The InChIKey is FMMKLZQEFLEMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2/c1-2-3-16(6-10(11,12)13)8-5-14-4-7(15-8)9(17)18/h4-5H,2-3,6H2,1H3,(H,17,18).
What are the key properties of 6-[propyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid?
6-[propyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid has a molecular weight of 263.22 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[propyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 66449104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).