5-[2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]pyrazine-2-carboxylic acid

C12H14F3N3O3 — CID 122057663

IUPAC5-[2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]pyrazine-2-carboxylic acid
SMILESCC1(C)CN(c2cnc(C(=O)O)cn2)CC(C(F)(F)F)O1
InChIInChI=1S/C12H14F3N3O3/c1-11(2)6-18(5-8(21-11)12(13,14)15)9-4-16-7(3-17-9)10(19)20/h3-4,8H,5-6H2,1-2H3,(H,19,20)
InChIKeyQICKVOOWFPGXIE-UHFFFAOYSA-N
MW305.26 g/mol
LogP1.72
Rot. Bonds2

About 5-[2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]pyrazine-2-carboxylic acid

5-[2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]pyrazine-2-carboxylic acid (PubChem CID 122057663) has the molecular formula C12H14F3N3O3 and a molecular weight of 305.26 g/mol. Its IUPAC name is 5-[2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]pyrazine-2-carboxylic acid
PubChem CID122057663
Molecular FormulaC12H14F3N3O3
Molecular Weight305.26 g/mol
Exact Mass305.10
IUPAC Name5-[2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]pyrazine-2-carboxylic acid
SMILESCC1(C)CN(c2cnc(C(=O)O)cn2)CC(C(F)(F)F)O1
InChIInChI=1S/C12H14F3N3O3/c1-11(2)6-18(5-8(21-11)12(13,14)15)9-4-16-7(3-17-9)10(19)20/h3-4,8H,5-6H2,1-2H3,(H,19,20)
InChIKeyQICKVOOWFPGXIE-UHFFFAOYSA-N
XLogP1.72
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]pyrazine-2-carboxylic acid (CID 122057663) is 5-[2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]pyrazine-2-carboxylic acid is CC1(C)CN(c2cnc(C(=O)O)cn2)CC(C(F)(F)F)O1.
What is the InChIKey of 5-[2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]pyrazine-2-carboxylic acid?
The InChIKey is QICKVOOWFPGXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O3/c1-11(2)6-18(5-8(21-11)12(13,14)15)9-4-16-7(3-17-9)10(19)20/h3-4,8H,5-6H2,1-2H3,(H,19,20).
What are the key properties of 5-[2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]pyrazine-2-carboxylic acid?
5-[2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]pyrazine-2-carboxylic acid has a molecular weight of 305.26 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122057663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).