ethane;2-methyl-N-[5-(trifluoromethyl)pyrazin-2-yl]propanamide

C11H16F3N3O — CID 145083469

IUPACethane;2-methyl-N-[5-(trifluoromethyl)pyrazin-2-yl]propanamide
SMILESCC.CC(C)C(=O)Nc1cnc(C(F)(F)F)cn1
InChIInChI=1S/C9H10F3N3O.C2H6/c1-5(2)8(16)15-7-4-13-6(3-14-7)9(10,11)12;1-2/h3-5H,1-2H3,(H,14,15,16);1-2H3
InChIKeyNUCQZCKRJRFDGU-UHFFFAOYSA-N
MW263.26 g/mol
LogP3.12
Rot. Bonds2

About ethane;2-methyl-N-[5-(trifluoromethyl)pyrazin-2-yl]propanamide

ethane;2-methyl-N-[5-(trifluoromethyl)pyrazin-2-yl]propanamide (PubChem CID 145083469) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is ethane;2-methyl-N-[5-(trifluoromethyl)pyrazin-2-yl]propanamide.

Molecular Properties

Compound Nameethane;2-methyl-N-[5-(trifluoromethyl)pyrazin-2-yl]propanamide
PubChem CID145083469
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Nameethane;2-methyl-N-[5-(trifluoromethyl)pyrazin-2-yl]propanamide
SMILESCC.CC(C)C(=O)Nc1cnc(C(F)(F)F)cn1
InChIInChI=1S/C9H10F3N3O.C2H6/c1-5(2)8(16)15-7-4-13-6(3-14-7)9(10,11)12;1-2/h3-5H,1-2H3,(H,14,15,16);1-2H3
InChIKeyNUCQZCKRJRFDGU-UHFFFAOYSA-N
XLogP3.12
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-N-[5-(trifluoromethyl)pyrazin-2-yl]propanamide?
The IUPAC name of ethane;2-methyl-N-[5-(trifluoromethyl)pyrazin-2-yl]propanamide (CID 145083469) is ethane;2-methyl-N-[5-(trifluoromethyl)pyrazin-2-yl]propanamide.
What is the SMILES notation for ethane;2-methyl-N-[5-(trifluoromethyl)pyrazin-2-yl]propanamide?
The canonical SMILES for ethane;2-methyl-N-[5-(trifluoromethyl)pyrazin-2-yl]propanamide is CC.CC(C)C(=O)Nc1cnc(C(F)(F)F)cn1.
What is the InChIKey of ethane;2-methyl-N-[5-(trifluoromethyl)pyrazin-2-yl]propanamide?
The InChIKey is NUCQZCKRJRFDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O.C2H6/c1-5(2)8(16)15-7-4-13-6(3-14-7)9(10,11)12;1-2/h3-5H,1-2H3,(H,14,15,16);1-2H3.
What are the key properties of ethane;2-methyl-N-[5-(trifluoromethyl)pyrazin-2-yl]propanamide?
ethane;2-methyl-N-[5-(trifluoromethyl)pyrazin-2-yl]propanamide has a molecular weight of 263.26 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-N-[5-(trifluoromethyl)pyrazin-2-yl]propanamide is sourced from PubChem (CID 145083469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).