2-[(5-methylpyrazin-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide

C11H15F3N4O — CID 115710558

IUPAC2-[(5-methylpyrazin-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCc1cnc(CNC(C)C(=O)NCC(F)(F)F)cn1
InChIInChI=1S/C11H15F3N4O/c1-7-3-17-9(4-15-7)5-16-8(2)10(19)18-6-11(12,13)14/h3-4,8,16H,5-6H2,1-2H3,(H,18,19)
InChIKeyLAIYMBXVZRCNOJ-UHFFFAOYSA-N
MW276.26 g/mol
LogP0.94
Rot. Bonds5

About 2-[(5-methylpyrazin-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide

2-[(5-methylpyrazin-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 115710558) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-[(5-methylpyrazin-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[(5-methylpyrazin-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID115710558
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC Name2-[(5-methylpyrazin-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCc1cnc(CNC(C)C(=O)NCC(F)(F)F)cn1
InChIInChI=1S/C11H15F3N4O/c1-7-3-17-9(4-15-7)5-16-8(2)10(19)18-6-11(12,13)14/h3-4,8,16H,5-6H2,1-2H3,(H,18,19)
InChIKeyLAIYMBXVZRCNOJ-UHFFFAOYSA-N
XLogP0.94
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylpyrazin-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[(5-methylpyrazin-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide (CID 115710558) is 2-[(5-methylpyrazin-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[(5-methylpyrazin-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[(5-methylpyrazin-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide is Cc1cnc(CNC(C)C(=O)NCC(F)(F)F)cn1.
What is the InChIKey of 2-[(5-methylpyrazin-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is LAIYMBXVZRCNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c1-7-3-17-9(4-15-7)5-16-8(2)10(19)18-6-11(12,13)14/h3-4,8,16H,5-6H2,1-2H3,(H,18,19).
What are the key properties of 2-[(5-methylpyrazin-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[(5-methylpyrazin-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 276.26 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylpyrazin-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 115710558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).