2H-pyrazine-1-carboxamide;2,2,2-trifluoroacetic acid

C7H8F3N3O3 — CID 162322225

IUPAC2H-pyrazine-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)N1C=CN=CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H7N3O.C2HF3O2/c6-5(9)8-3-1-7-2-4-8;3-2(4,5)1(6)7/h1-3H,4H2,(H2,6,9);(H,6,7)
InChIKeyADYMFKXLXFFGGA-UHFFFAOYSA-N
MW239.15 g/mol
LogP0.56
Rot. Bonds

About 2H-pyrazine-1-carboxamide;2,2,2-trifluoroacetic acid

2H-pyrazine-1-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 162322225) has the molecular formula C7H8F3N3O3 and a molecular weight of 239.15 g/mol. Its IUPAC name is 2H-pyrazine-1-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2H-pyrazine-1-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID162322225
Molecular FormulaC7H8F3N3O3
Molecular Weight239.15 g/mol
Exact Mass239.05
IUPAC Name2H-pyrazine-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)N1C=CN=CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H7N3O.C2HF3O2/c6-5(9)8-3-1-7-2-4-8;3-2(4,5)1(6)7/h1-3H,4H2,(H2,6,9);(H,6,7)
InChIKeyADYMFKXLXFFGGA-UHFFFAOYSA-N
XLogP0.56
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.15
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2H-pyrazine-1-carboxamide;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2H-pyrimidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 135314210

Frequently Asked Questions

What is the IUPAC name of 2H-pyrazine-1-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2H-pyrazine-1-carboxamide;2,2,2-trifluoroacetic acid (CID 162322225) is 2H-pyrazine-1-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2H-pyrazine-1-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2H-pyrazine-1-carboxamide;2,2,2-trifluoroacetic acid is NC(=O)N1C=CN=CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 2H-pyrazine-1-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is ADYMFKXLXFFGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O.C2HF3O2/c6-5(9)8-3-1-7-2-4-8;3-2(4,5)1(6)7/h1-3H,4H2,(H2,6,9);(H,6,7).
What are the key properties of 2H-pyrazine-1-carboxamide;2,2,2-trifluoroacetic acid?
2H-pyrazine-1-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 239.15 g/mol, XLogP of 0.56, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyrazine-1-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 162322225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).