3-(trifluoromethyl)-1H-pyrazine-4-carboxamide

C6H6F3N3O — CID 66896899

IUPAC3-(trifluoromethyl)-1H-pyrazine-4-carboxamide
SMILESNC(=O)N1C=CNC=C1C(F)(F)F
InChIInChI=1S/C6H6F3N3O/c7-6(8,9)4-3-11-1-2-12(4)5(10)13/h1-3,11H,(H2,10,13)
InChIKeyVJCBOQWDAWXGFB-UHFFFAOYSA-N
MW193.13 g/mol
LogP0.85
Rot. Bonds

About 3-(trifluoromethyl)-1H-pyrazine-4-carboxamide

3-(trifluoromethyl)-1H-pyrazine-4-carboxamide (PubChem CID 66896899) has the molecular formula C6H6F3N3O and a molecular weight of 193.13 g/mol. Its IUPAC name is 3-(trifluoromethyl)-1H-pyrazine-4-carboxamide.

Molecular Properties

Compound Name3-(trifluoromethyl)-1H-pyrazine-4-carboxamide
PubChem CID66896899
Molecular FormulaC6H6F3N3O
Molecular Weight193.13 g/mol
Exact Mass193.05
IUPAC Name3-(trifluoromethyl)-1H-pyrazine-4-carboxamide
SMILESNC(=O)N1C=CNC=C1C(F)(F)F
InChIInChI=1S/C6H6F3N3O/c7-6(8,9)4-3-11-1-2-12(4)5(10)13/h1-3,11H,(H2,10,13)
InChIKeyVJCBOQWDAWXGFB-UHFFFAOYSA-N
XLogP0.85
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.13
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-1H-pyrazine-4-carboxamide?
The IUPAC name of 3-(trifluoromethyl)-1H-pyrazine-4-carboxamide (CID 66896899) is 3-(trifluoromethyl)-1H-pyrazine-4-carboxamide.
What is the SMILES notation for 3-(trifluoromethyl)-1H-pyrazine-4-carboxamide?
The canonical SMILES for 3-(trifluoromethyl)-1H-pyrazine-4-carboxamide is NC(=O)N1C=CNC=C1C(F)(F)F.
What is the InChIKey of 3-(trifluoromethyl)-1H-pyrazine-4-carboxamide?
The InChIKey is VJCBOQWDAWXGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O/c7-6(8,9)4-3-11-1-2-12(4)5(10)13/h1-3,11H,(H2,10,13).
What are the key properties of 3-(trifluoromethyl)-1H-pyrazine-4-carboxamide?
3-(trifluoromethyl)-1H-pyrazine-4-carboxamide has a molecular weight of 193.13 g/mol, XLogP of 0.85, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-1H-pyrazine-4-carboxamide is sourced from PubChem (CID 66896899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).