4,4,4-trifluoro-N-(4-methyl-3-oxopyrazin-2-yl)butanamide

C9H10F3N3O2 — CID 71857665

IUPAC4,4,4-trifluoro-N-(4-methyl-3-oxopyrazin-2-yl)butanamide
SMILESCn1ccnc(NC(=O)CCC(F)(F)F)c1=O
InChIInChI=1S/C9H10F3N3O2/c1-15-5-4-13-7(8(15)17)14-6(16)2-3-9(10,11)12/h4-5H,2-3H2,1H3,(H,13,14,16)
InChIKeyJENOSWULZOKWMW-UHFFFAOYSA-N
MW249.19 g/mol
LogP1.06
Rot. Bonds3

About 4,4,4-trifluoro-N-(4-methyl-3-oxopyrazin-2-yl)butanamide

4,4,4-trifluoro-N-(4-methyl-3-oxopyrazin-2-yl)butanamide (PubChem CID 71857665) has the molecular formula C9H10F3N3O2 and a molecular weight of 249.19 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(4-methyl-3-oxopyrazin-2-yl)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(4-methyl-3-oxopyrazin-2-yl)butanamide
PubChem CID71857665
Molecular FormulaC9H10F3N3O2
Molecular Weight249.19 g/mol
Exact Mass249.07
IUPAC Name4,4,4-trifluoro-N-(4-methyl-3-oxopyrazin-2-yl)butanamide
SMILESCn1ccnc(NC(=O)CCC(F)(F)F)c1=O
InChIInChI=1S/C9H10F3N3O2/c1-15-5-4-13-7(8(15)17)14-6(16)2-3-9(10,11)12/h4-5H,2-3H2,1H3,(H,13,14,16)
InChIKeyJENOSWULZOKWMW-UHFFFAOYSA-N
XLogP1.06
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4,4,4-trifluoro-N-(4-methyl-3-oxopyrazin-2-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-(4-methyl-3-oxopyrazin-2-yl)butanamide?
The IUPAC name of 4,4,4-trifluoro-N-(4-methyl-3-oxopyrazin-2-yl)butanamide (CID 71857665) is 4,4,4-trifluoro-N-(4-methyl-3-oxopyrazin-2-yl)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-(4-methyl-3-oxopyrazin-2-yl)butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-(4-methyl-3-oxopyrazin-2-yl)butanamide is Cn1ccnc(NC(=O)CCC(F)(F)F)c1=O.
What is the InChIKey of 4,4,4-trifluoro-N-(4-methyl-3-oxopyrazin-2-yl)butanamide?
The InChIKey is JENOSWULZOKWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O2/c1-15-5-4-13-7(8(15)17)14-6(16)2-3-9(10,11)12/h4-5H,2-3H2,1H3,(H,13,14,16).
What are the key properties of 4,4,4-trifluoro-N-(4-methyl-3-oxopyrazin-2-yl)butanamide?
4,4,4-trifluoro-N-(4-methyl-3-oxopyrazin-2-yl)butanamide has a molecular weight of 249.19 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-(4-methyl-3-oxopyrazin-2-yl)butanamide is sourced from PubChem (CID 71857665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).