3-amino-6-morpholin-4-yl-5-(trifluoromethyl)pyrazine-2-carboxylic acid

C10H11F3N4O3 — CID 89443497

IUPAC3-amino-6-morpholin-4-yl-5-(trifluoromethyl)pyrazine-2-carboxylic acid
SMILESNc1nc(C(F)(F)F)c(N2CCOCC2)nc1C(=O)O
InChIInChI=1S/C10H11F3N4O3/c11-10(12,13)6-8(17-1-3-20-4-2-17)15-5(9(18)19)7(14)16-6/h1-4H2,(H2,14,16)(H,18,19)
InChIKeyIFTXDTAFZOXPMG-UHFFFAOYSA-N
MW292.22 g/mol
LogP0.61
Rot. Bonds2

About 3-amino-6-morpholin-4-yl-5-(trifluoromethyl)pyrazine-2-carboxylic acid

3-amino-6-morpholin-4-yl-5-(trifluoromethyl)pyrazine-2-carboxylic acid (PubChem CID 89443497) has the molecular formula C10H11F3N4O3 and a molecular weight of 292.22 g/mol. Its IUPAC name is 3-amino-6-morpholin-4-yl-5-(trifluoromethyl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-morpholin-4-yl-5-(trifluoromethyl)pyrazine-2-carboxylic acid
PubChem CID89443497
Molecular FormulaC10H11F3N4O3
Molecular Weight292.22 g/mol
Exact Mass292.08
IUPAC Name3-amino-6-morpholin-4-yl-5-(trifluoromethyl)pyrazine-2-carboxylic acid
SMILESNc1nc(C(F)(F)F)c(N2CCOCC2)nc1C(=O)O
InChIInChI=1S/C10H11F3N4O3/c11-10(12,13)6-8(17-1-3-20-4-2-17)15-5(9(18)19)7(14)16-6/h1-4H2,(H2,14,16)(H,18,19)
InChIKeyIFTXDTAFZOXPMG-UHFFFAOYSA-N
XLogP0.61
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.22
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-Amino-6-pyrrolidin-1-yl-5-(trifluoromethyl)pyrazine-2-carboxylic acid
CID 89443019
3-Amino-6-(dimethylamino)-5-(trifluoromethyl)pyrazine-2-carboxylic acid
CID 89443770
Methyl 3-amino-6-chloro-5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylate
CID 178088289
methyl 3-amino-6-chloro-5-[(3R)-3-methylmorpholin-4-yl]pyrazine-2-carboxylate;2,2,2-trifluoroacetic acid
CID 166385664
Methyl 3-amino-6-chloro-5-morpholinopyrazine-2-carboxylate
CID 2797296
3,6-Bis[bis(2-hydroxyethyl)amino]pyrazine-2,5-dicarboxylic acid
CID 11646466
3,6-Dimorpholin-4-ylpyrazine-2,5-dicarboxylic acid
CID 24860727
3,6-Di(piperazin-1-yl)pyrazine-2,5-dicarboxylic acid
CID 24860790
3,5-Di(piperazin-1-yl)pyrazine-2,6-dicarboxylic acid
CID 67369836
3,5-Dimorpholin-4-ylpyrazine-2,6-dicarboxylic acid
CID 67371819
3-Amino-6-(dimethylamino)pyrazine-2,5-dicarboxylic acid
CID 70894835
3-Amino-6-chloro-5-(2-methoxyethylamino)pyrazine-2-carboxylic acid
CID 153924682

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-morpholin-4-yl-5-(trifluoromethyl)pyrazine-2-carboxylic acid?
The IUPAC name of 3-amino-6-morpholin-4-yl-5-(trifluoromethyl)pyrazine-2-carboxylic acid (CID 89443497) is 3-amino-6-morpholin-4-yl-5-(trifluoromethyl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-amino-6-morpholin-4-yl-5-(trifluoromethyl)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-amino-6-morpholin-4-yl-5-(trifluoromethyl)pyrazine-2-carboxylic acid is Nc1nc(C(F)(F)F)c(N2CCOCC2)nc1C(=O)O.
What is the InChIKey of 3-amino-6-morpholin-4-yl-5-(trifluoromethyl)pyrazine-2-carboxylic acid?
The InChIKey is IFTXDTAFZOXPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O3/c11-10(12,13)6-8(17-1-3-20-4-2-17)15-5(9(18)19)7(14)16-6/h1-4H2,(H2,14,16)(H,18,19).
What are the key properties of 3-amino-6-morpholin-4-yl-5-(trifluoromethyl)pyrazine-2-carboxylic acid?
3-amino-6-morpholin-4-yl-5-(trifluoromethyl)pyrazine-2-carboxylic acid has a molecular weight of 292.22 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-morpholin-4-yl-5-(trifluoromethyl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 89443497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).