2-[(6-methylpyrazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide

C9H11F3N4O — CID 133468922

IUPAC2-[(6-methylpyrazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1cncc(NCC(=O)NCC(F)(F)F)n1
InChIInChI=1S/C9H11F3N4O/c1-6-2-13-3-7(16-6)14-4-8(17)15-5-9(10,11)12/h2-3H,4-5H2,1H3,(H,14,16)(H,15,17)
InChIKeyWXHZHRLSNBPFCO-UHFFFAOYSA-N
MW248.21 g/mol
LogP0.88
Rot. Bonds4

About 2-[(6-methylpyrazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[(6-methylpyrazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 133468922) has the molecular formula C9H11F3N4O and a molecular weight of 248.21 g/mol. Its IUPAC name is 2-[(6-methylpyrazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(6-methylpyrazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID133468922
Molecular FormulaC9H11F3N4O
Molecular Weight248.21 g/mol
Exact Mass248.09
IUPAC Name2-[(6-methylpyrazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1cncc(NCC(=O)NCC(F)(F)F)n1
InChIInChI=1S/C9H11F3N4O/c1-6-2-13-3-7(16-6)14-4-8(17)15-5-9(10,11)12/h2-3H,4-5H2,1H3,(H,14,16)(H,15,17)
InChIKeyWXHZHRLSNBPFCO-UHFFFAOYSA-N
XLogP0.88
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methylpyrazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(6-methylpyrazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 133468922) is 2-[(6-methylpyrazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(6-methylpyrazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(6-methylpyrazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide is Cc1cncc(NCC(=O)NCC(F)(F)F)n1.
What is the InChIKey of 2-[(6-methylpyrazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is WXHZHRLSNBPFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4O/c1-6-2-13-3-7(16-6)14-4-8(17)15-5-9(10,11)12/h2-3H,4-5H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 2-[(6-methylpyrazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(6-methylpyrazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 248.21 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methylpyrazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 133468922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).