3-(trifluoromethyl)pyrazin-2-amine;N-[3-(trifluoromethyl)pyrazin-2-yl]acetamide

C12H10F6N6O — CID 162082127

IUPAC3-(trifluoromethyl)pyrazin-2-amine;N-[3-(trifluoromethyl)pyrazin-2-yl]acetamide
SMILESCC(=O)Nc1nccnc1C(F)(F)F.Nc1nccnc1C(F)(F)F
InChIInChI=1S/C7H6F3N3O.C5H4F3N3/c1-4(14)13-6-5(7(8,9)10)11-2-3-12-6;6-5(7,8)3-4(9)11-2-1-10-3/h2-3H,1H3,(H,12,13,14);1-2H,(H2,9,11)
InChIKeyZCMCEBATYGZOHE-UHFFFAOYSA-N
MW368.24 g/mol
LogP2.53
Rot. Bonds1

About 3-(trifluoromethyl)pyrazin-2-amine;N-[3-(trifluoromethyl)pyrazin-2-yl]acetamide

3-(trifluoromethyl)pyrazin-2-amine;N-[3-(trifluoromethyl)pyrazin-2-yl]acetamide (PubChem CID 162082127) has the molecular formula C12H10F6N6O and a molecular weight of 368.24 g/mol. Its IUPAC name is 3-(trifluoromethyl)pyrazin-2-amine;N-[3-(trifluoromethyl)pyrazin-2-yl]acetamide.

Molecular Properties

Compound Name3-(trifluoromethyl)pyrazin-2-amine;N-[3-(trifluoromethyl)pyrazin-2-yl]acetamide
PubChem CID162082127
Molecular FormulaC12H10F6N6O
Molecular Weight368.24 g/mol
Exact Mass368.08
IUPAC Name3-(trifluoromethyl)pyrazin-2-amine;N-[3-(trifluoromethyl)pyrazin-2-yl]acetamide
SMILESCC(=O)Nc1nccnc1C(F)(F)F.Nc1nccnc1C(F)(F)F
InChIInChI=1S/C7H6F3N3O.C5H4F3N3/c1-4(14)13-6-5(7(8,9)10)11-2-3-12-6;6-5(7,8)3-4(9)11-2-1-10-3/h2-3H,1H3,(H,12,13,14);1-2H,(H2,9,11)
InChIKeyZCMCEBATYGZOHE-UHFFFAOYSA-N
XLogP2.53
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.24
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-Piperazin-1-yl-6-(trifluoromethyl)pyrazine
CID 20290696
2-(Piperazin-1-yl)-5-(trifluoromethyl)pyrazine
CID 46837492
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-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-5-(trifluoromethyl)pyrazine
CID 129105454
2-methyl-N-[5-(trifluoromethyl)pyrazin-2-yl]propanamide
CID 132218260
[5-(Trifluoromethyl)pyrazin-2-yl]urea
CID 141057534
1-[4-[5-Ethynyl-3-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]-2,2,2-trifluoroethanone
CID 141412641
ethane;2-methyl-N-[5-(trifluoromethyl)pyrazin-2-yl]propanamide
CID 145083469

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)pyrazin-2-amine;N-[3-(trifluoromethyl)pyrazin-2-yl]acetamide?
The IUPAC name of 3-(trifluoromethyl)pyrazin-2-amine;N-[3-(trifluoromethyl)pyrazin-2-yl]acetamide (CID 162082127) is 3-(trifluoromethyl)pyrazin-2-amine;N-[3-(trifluoromethyl)pyrazin-2-yl]acetamide.
What is the SMILES notation for 3-(trifluoromethyl)pyrazin-2-amine;N-[3-(trifluoromethyl)pyrazin-2-yl]acetamide?
The canonical SMILES for 3-(trifluoromethyl)pyrazin-2-amine;N-[3-(trifluoromethyl)pyrazin-2-yl]acetamide is CC(=O)Nc1nccnc1C(F)(F)F.Nc1nccnc1C(F)(F)F.
What is the InChIKey of 3-(trifluoromethyl)pyrazin-2-amine;N-[3-(trifluoromethyl)pyrazin-2-yl]acetamide?
The InChIKey is ZCMCEBATYGZOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3O.C5H4F3N3/c1-4(14)13-6-5(7(8,9)10)11-2-3-12-6;6-5(7,8)3-4(9)11-2-1-10-3/h2-3H,1H3,(H,12,13,14);1-2H,(H2,9,11).
What are the key properties of 3-(trifluoromethyl)pyrazin-2-amine;N-[3-(trifluoromethyl)pyrazin-2-yl]acetamide?
3-(trifluoromethyl)pyrazin-2-amine;N-[3-(trifluoromethyl)pyrazin-2-yl]acetamide has a molecular weight of 368.24 g/mol, XLogP of 2.53, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)pyrazin-2-amine;N-[3-(trifluoromethyl)pyrazin-2-yl]acetamide is sourced from PubChem (CID 162082127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).