3-amino-6-(dimethylamino)-5-(trifluoromethyl)pyrazine-2-carboxylic acid

C8H9F3N4O2 — CID 89443770

IUPAC3-amino-6-(dimethylamino)-5-(trifluoromethyl)pyrazine-2-carboxylic acid
SMILESCN(C)c1nc(C(=O)O)c(N)nc1C(F)(F)F
InChIInChI=1S/C8H9F3N4O2/c1-15(2)6-4(8(9,10)11)14-5(12)3(13-6)7(16)17/h1-2H3,(H2,12,14)(H,16,17)
InChIKeyCAGPFTQUAXJFAL-UHFFFAOYSA-N
MW250.18 g/mol
LogP0.84
Rot. Bonds2

About 3-amino-6-(dimethylamino)-5-(trifluoromethyl)pyrazine-2-carboxylic acid

3-amino-6-(dimethylamino)-5-(trifluoromethyl)pyrazine-2-carboxylic acid (PubChem CID 89443770) has the molecular formula C8H9F3N4O2 and a molecular weight of 250.18 g/mol. Its IUPAC name is 3-amino-6-(dimethylamino)-5-(trifluoromethyl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-(dimethylamino)-5-(trifluoromethyl)pyrazine-2-carboxylic acid
PubChem CID89443770
Molecular FormulaC8H9F3N4O2
Molecular Weight250.18 g/mol
Exact Mass250.07
IUPAC Name3-amino-6-(dimethylamino)-5-(trifluoromethyl)pyrazine-2-carboxylic acid
SMILESCN(C)c1nc(C(=O)O)c(N)nc1C(F)(F)F
InChIInChI=1S/C8H9F3N4O2/c1-15(2)6-4(8(9,10)11)14-5(12)3(13-6)7(16)17/h1-2H3,(H2,12,14)(H,16,17)
InChIKeyCAGPFTQUAXJFAL-UHFFFAOYSA-N
XLogP0.84
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(dimethylamino)-5-(trifluoromethyl)pyrazine-2-carboxylic acid?
The IUPAC name of 3-amino-6-(dimethylamino)-5-(trifluoromethyl)pyrazine-2-carboxylic acid (CID 89443770) is 3-amino-6-(dimethylamino)-5-(trifluoromethyl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-amino-6-(dimethylamino)-5-(trifluoromethyl)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-amino-6-(dimethylamino)-5-(trifluoromethyl)pyrazine-2-carboxylic acid is CN(C)c1nc(C(=O)O)c(N)nc1C(F)(F)F.
What is the InChIKey of 3-amino-6-(dimethylamino)-5-(trifluoromethyl)pyrazine-2-carboxylic acid?
The InChIKey is CAGPFTQUAXJFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N4O2/c1-15(2)6-4(8(9,10)11)14-5(12)3(13-6)7(16)17/h1-2H3,(H2,12,14)(H,16,17).
What are the key properties of 3-amino-6-(dimethylamino)-5-(trifluoromethyl)pyrazine-2-carboxylic acid?
3-amino-6-(dimethylamino)-5-(trifluoromethyl)pyrazine-2-carboxylic acid has a molecular weight of 250.18 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(dimethylamino)-5-(trifluoromethyl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 89443770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).