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

C8H8F3N3O2 — CID 112527762

IUPAC6-oxo-N-(3,3,3-trifluoropropyl)-1H-pyrazine-3-carboxamide
SMILESO=C(NCCC(F)(F)F)c1c[nH]c(=O)cn1
InChIInChI=1S/C8H8F3N3O2/c9-8(10,11)1-2-12-7(16)5-3-14-6(15)4-13-5/h3-4H,1-2H2,(H,12,16)(H,14,15)
InChIKeyFHMNZCBOAHDQGF-UHFFFAOYSA-N
MW235.16 g/mol
LogP0.45
Rot. Bonds3

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

6-oxo-N-(3,3,3-trifluoropropyl)-1H-pyrazine-3-carboxamide (PubChem CID 112527762) has the molecular formula C8H8F3N3O2 and a molecular weight of 235.16 g/mol. Its IUPAC name is 6-oxo-N-(3,3,3-trifluoropropyl)-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(3,3,3-trifluoropropyl)-1H-pyrazine-3-carboxamide
PubChem CID112527762
Molecular FormulaC8H8F3N3O2
Molecular Weight235.16 g/mol
Exact Mass235.06
IUPAC Name6-oxo-N-(3,3,3-trifluoropropyl)-1H-pyrazine-3-carboxamide
SMILESO=C(NCCC(F)(F)F)c1c[nH]c(=O)cn1
InChIInChI=1S/C8H8F3N3O2/c9-8(10,11)1-2-12-7(16)5-3-14-6(15)4-13-5/h3-4H,1-2H2,(H,12,16)(H,14,15)
InChIKeyFHMNZCBOAHDQGF-UHFFFAOYSA-N
XLogP0.45
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-(2,2,2-trifluoroacetyl)-2,3-dihydro-1H-pyrazine-5-carboxamide
CID 141887590
N-(3,3-difluoro-2-hydroxypropyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 103770025
N-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 104857122
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 107483149
6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyrazine-3-carboxamide
CID 112527697
6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyrazine-3-carboxamide
CID 113249099
N-(2-hydroxyethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyrazine-3-carboxamide
CID 113351102
N-(3-amino-2,2-difluoropropyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 114383349
N-(2-methylpropyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 90081940
6-oxo-N-propyl-1H-pyrazine-3-carboxamide
CID 108474666
N-(2,2-dimethylpropyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 118264842
N-ethyl-1,2-dihydropyrazine-5-carboxamide
CID 122522531

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(3,3,3-trifluoropropyl)-1H-pyrazine-3-carboxamide?
The IUPAC name of 6-oxo-N-(3,3,3-trifluoropropyl)-1H-pyrazine-3-carboxamide (CID 112527762) is 6-oxo-N-(3,3,3-trifluoropropyl)-1H-pyrazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(3,3,3-trifluoropropyl)-1H-pyrazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-(3,3,3-trifluoropropyl)-1H-pyrazine-3-carboxamide is O=C(NCCC(F)(F)F)c1c[nH]c(=O)cn1.
What is the InChIKey of 6-oxo-N-(3,3,3-trifluoropropyl)-1H-pyrazine-3-carboxamide?
The InChIKey is FHMNZCBOAHDQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O2/c9-8(10,11)1-2-12-7(16)5-3-14-6(15)4-13-5/h3-4H,1-2H2,(H,12,16)(H,14,15).
What are the key properties of 6-oxo-N-(3,3,3-trifluoropropyl)-1H-pyrazine-3-carboxamide?
6-oxo-N-(3,3,3-trifluoropropyl)-1H-pyrazine-3-carboxamide has a molecular weight of 235.16 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(3,3,3-trifluoropropyl)-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 112527762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).