6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyrazine-3-carboxamide

C7H6F3N3O2 — CID 112527697

IUPAC6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyrazine-3-carboxamide
SMILESO=C(NCC(F)(F)F)c1c[nH]c(=O)cn1
InChIInChI=1S/C7H6F3N3O2/c8-7(9,10)3-13-6(15)4-1-12-5(14)2-11-4/h1-2H,3H2,(H,12,14)(H,13,15)
InChIKeyAQEFKOALVPPEMD-UHFFFAOYSA-N
MW221.14 g/mol
LogP0.06
Rot. Bonds2

About 6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyrazine-3-carboxamide

6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyrazine-3-carboxamide (PubChem CID 112527697) has the molecular formula C7H6F3N3O2 and a molecular weight of 221.14 g/mol. Its IUPAC name is 6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyrazine-3-carboxamide
PubChem CID112527697
Molecular FormulaC7H6F3N3O2
Molecular Weight221.14 g/mol
Exact Mass221.04
IUPAC Name6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyrazine-3-carboxamide
SMILESO=C(NCC(F)(F)F)c1c[nH]c(=O)cn1
InChIInChI=1S/C7H6F3N3O2/c8-7(9,10)3-13-6(15)4-1-12-5(14)2-11-4/h1-2H,3H2,(H,12,14)(H,13,15)
InChIKeyAQEFKOALVPPEMD-UHFFFAOYSA-N
XLogP0.06
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.14
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-Dihydro-5-oxo-2-pyrazinecarboxamide
CID 151823
6-oxo-N-(3,3,3-trifluoropropyl)-1H-pyrazine-3-carboxamide
CID 112527762
N-(3-amino-2,2-difluoropropyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 114383349
6-Hydroxypyrazine-2-carboxamide
CID 55291347
6-oxo-N-propyl-1H-pyrazine-3-carboxamide
CID 108474666
N-ethyl-1,2-dihydropyrazine-5-carboxamide
CID 122522531
N-methyl-6-oxo-1H-pyrazine-2-carboxamide
CID 170673121
6-oxo-N-propan-2-yl-1H-pyrazine-2-carboxamide
CID 172999875
6-oxo-N-propyl-1H-pyrazine-2-carboxamide
CID 173000031
N-ethyl-6-oxo-1H-pyrazine-2-carboxamide
CID 173000078
N-Methyl-4,6-dioxo-1,6-dihydro-4lambda~5~-pyrazine-2-carboxamide
CID 12670244
6-oxo-N-prop-2-ynyl-1H-pyrazine-3-carboxamide
CID 60770819

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyrazine-3-carboxamide?
The IUPAC name of 6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyrazine-3-carboxamide (CID 112527697) is 6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyrazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyrazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyrazine-3-carboxamide is O=C(NCC(F)(F)F)c1c[nH]c(=O)cn1.
What is the InChIKey of 6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyrazine-3-carboxamide?
The InChIKey is AQEFKOALVPPEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3O2/c8-7(9,10)3-13-6(15)4-1-12-5(14)2-11-4/h1-2H,3H2,(H,12,14)(H,13,15).
What are the key properties of 6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyrazine-3-carboxamide?
6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyrazine-3-carboxamide has a molecular weight of 221.14 g/mol, XLogP of 0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 112527697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).