2-[(3-cyanopyrazin-2-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

C10H10F3N5O — CID 71996237

IUPAC2-[(3-cyanopyrazin-2-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)CNc1nccnc1C#N
InChIInChI=1S/C10H10F3N5O/c1-18(6-10(11,12)13)8(19)5-17-9-7(4-14)15-2-3-16-9/h2-3H,5-6H2,1H3,(H,16,17)
InChIKeyOCBCSXZORZLORJ-UHFFFAOYSA-N
MW273.22 g/mol
LogP0.78
Rot. Bonds4

About 2-[(3-cyanopyrazin-2-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

2-[(3-cyanopyrazin-2-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 71996237) has the molecular formula C10H10F3N5O and a molecular weight of 273.22 g/mol. Its IUPAC name is 2-[(3-cyanopyrazin-2-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(3-cyanopyrazin-2-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID71996237
Molecular FormulaC10H10F3N5O
Molecular Weight273.22 g/mol
Exact Mass273.08
IUPAC Name2-[(3-cyanopyrazin-2-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)CNc1nccnc1C#N
InChIInChI=1S/C10H10F3N5O/c1-18(6-10(11,12)13)8(19)5-17-9-7(4-14)15-2-3-16-9/h2-3H,5-6H2,1H3,(H,16,17)
InChIKeyOCBCSXZORZLORJ-UHFFFAOYSA-N
XLogP0.78
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.22
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-[Methyl(2,2,2-trifluoroethyl)amino]propylamino]pyrazine-2-carbonitrile
CID 71934200
2,2-Difluoro-N-(3,6-dimethylpyrazin-2-yl)acetamide
CID 57518299
N-[5-(trifluoromethyl)pyrazin-2-yl]acetamide
CID 70840605
(E)-4,4,4-Trifluoro-N-[2-[(6-methylpyrazin-2-yl)amino]ethyl]but-2-enamide
CID 71811869
N-[5-(trifluoromethyl)pyrazin-2-yl]propanamide
CID 121359350
4,4,4-trifluoro-N-[2-[(6-methylpyrazin-2-yl)amino]ethyl]but-2-enamide
CID 123493224
2-methyl-N-[5-(trifluoromethyl)pyrazin-2-yl]propanamide
CID 132218260
N-methyl-N-[5-(trifluoromethyl)pyrazin-2-yl]acetamide
CID 154558525
N-[3-(trifluoromethyl)pyrazin-2-yl]acetamide
CID 158089201
3-(trifluoromethyl)pyrazin-2-amine;N-[3-(trifluoromethyl)pyrazin-2-yl]acetamide
CID 162082127
N-(3-but-1-ynylpyrazin-2-yl)-2,2,2-trifluoroacetamide
CID 164867652
3-[Propyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carbonitrile
CID 55104502

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyanopyrazin-2-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(3-cyanopyrazin-2-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (CID 71996237) is 2-[(3-cyanopyrazin-2-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(3-cyanopyrazin-2-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(3-cyanopyrazin-2-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is CN(CC(F)(F)F)C(=O)CNc1nccnc1C#N.
What is the InChIKey of 2-[(3-cyanopyrazin-2-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is OCBCSXZORZLORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5O/c1-18(6-10(11,12)13)8(19)5-17-9-7(4-14)15-2-3-16-9/h2-3H,5-6H2,1H3,(H,16,17).
What are the key properties of 2-[(3-cyanopyrazin-2-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
2-[(3-cyanopyrazin-2-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 273.22 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyanopyrazin-2-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 71996237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).