2-[methyl(pyrazin-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide

C11H15F3N4O — CID 71924060

IUPAC2-[methyl(pyrazin-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C(=O)NCC(F)(F)F)N(C)Cc1cnccn1
InChIInChI=1S/C11H15F3N4O/c1-8(10(19)17-7-11(12,13)14)18(2)6-9-5-15-3-4-16-9/h3-5,8H,6-7H2,1-2H3,(H,17,19)
InChIKeyCNMIOFUHAZIUFF-UHFFFAOYSA-N
MW276.26 g/mol
LogP0.98
Rot. Bonds5

About 2-[methyl(pyrazin-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide

2-[methyl(pyrazin-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 71924060) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-[methyl(pyrazin-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[methyl(pyrazin-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID71924060
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC Name2-[methyl(pyrazin-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C(=O)NCC(F)(F)F)N(C)Cc1cnccn1
InChIInChI=1S/C11H15F3N4O/c1-8(10(19)17-7-11(12,13)14)18(2)6-9-5-15-3-4-16-9/h3-5,8H,6-7H2,1-2H3,(H,17,19)
InChIKeyCNMIOFUHAZIUFF-UHFFFAOYSA-N
XLogP0.98
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pyrazin-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[methyl(pyrazin-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide (CID 71924060) is 2-[methyl(pyrazin-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[methyl(pyrazin-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[methyl(pyrazin-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide is CC(C(=O)NCC(F)(F)F)N(C)Cc1cnccn1.
What is the InChIKey of 2-[methyl(pyrazin-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is CNMIOFUHAZIUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c1-8(10(19)17-7-11(12,13)14)18(2)6-9-5-15-3-4-16-9/h3-5,8H,6-7H2,1-2H3,(H,17,19).
What are the key properties of 2-[methyl(pyrazin-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[methyl(pyrazin-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 276.26 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pyrazin-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 71924060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).