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

C6H4F3N3O2 — CID 68818278

IUPAC3-amino-5-(trifluoromethyl)pyrazine-2-carboxylic acid
SMILESNc1nc(C(F)(F)F)cnc1C(=O)O
InChIInChI=1S/C6H4F3N3O2/c7-6(8,9)2-1-11-3(5(13)14)4(10)12-2/h1H,(H2,10,12)(H,13,14)
InChIKeyOZMUCSYTBBYNTK-UHFFFAOYSA-N
MW207.11 g/mol
LogP0.78
Rot. Bonds1

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

3-amino-5-(trifluoromethyl)pyrazine-2-carboxylic acid (PubChem CID 68818278) has the molecular formula C6H4F3N3O2 and a molecular weight of 207.11 g/mol. Its IUPAC name is 3-amino-5-(trifluoromethyl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-5-(trifluoromethyl)pyrazine-2-carboxylic acid
PubChem CID68818278
Molecular FormulaC6H4F3N3O2
Molecular Weight207.11 g/mol
Exact Mass207.03
IUPAC Name3-amino-5-(trifluoromethyl)pyrazine-2-carboxylic acid
SMILESNc1nc(C(F)(F)F)cnc1C(=O)O
InChIInChI=1S/C6H4F3N3O2/c7-6(8,9)2-1-11-3(5(13)14)4(10)12-2/h1H,(H2,10,12)(H,13,14)
InChIKeyOZMUCSYTBBYNTK-UHFFFAOYSA-N
XLogP0.78
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.11
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 3-aminopyrazinecarboxylate
CID 72669
3-Amino-2-pyrazinecarboxylic acid
CID 72656
Pterin-6-Carboxylic Acid
CID 135403803
2-Amino-1,4-dihydro-4-oxopteridine-7-carboxylic acid
CID 135460042
6-Aminopyrazine-2-carboxylic acid
CID 12295729
5-Aminopyrazine-2-carboxylic acid
CID 21897334
Methyl 5-aminopyrazine-2-carboxylate
CID 14536427
3-Amino-6-bromopyrazine-2-carboxylic acid
CID 18521600
Methyl 6-aminopyrazine-2-carboxylate
CID 44558107
Methyl 3-amino-6-methylpyrazine-2-carboxylate
CID 58840780
Hypnosin
CID 10511603
6-(Methylamino)pyrazine-2-carboxylic acid
CID 818291

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(trifluoromethyl)pyrazine-2-carboxylic acid?
The IUPAC name of 3-amino-5-(trifluoromethyl)pyrazine-2-carboxylic acid (CID 68818278) is 3-amino-5-(trifluoromethyl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-amino-5-(trifluoromethyl)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-amino-5-(trifluoromethyl)pyrazine-2-carboxylic acid is Nc1nc(C(F)(F)F)cnc1C(=O)O.
What is the InChIKey of 3-amino-5-(trifluoromethyl)pyrazine-2-carboxylic acid?
The InChIKey is OZMUCSYTBBYNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3N3O2/c7-6(8,9)2-1-11-3(5(13)14)4(10)12-2/h1H,(H2,10,12)(H,13,14).
What are the key properties of 3-amino-5-(trifluoromethyl)pyrazine-2-carboxylic acid?
3-amino-5-(trifluoromethyl)pyrazine-2-carboxylic acid has a molecular weight of 207.11 g/mol, XLogP of 0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(trifluoromethyl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 68818278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).