methyl 6-[propyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylate

C11H14F3N3O2 — CID 66452050

IUPACmethyl 6-[propyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylate
SMILESCCCN(CC(F)(F)F)c1cncc(C(=O)OC)n1
InChIInChI=1S/C11H14F3N3O2/c1-3-4-17(7-11(12,13)14)9-6-15-5-8(16-9)10(18)19-2/h5-6H,3-4,7H2,1-2H3
InChIKeyRAHTYGXDISWHLR-UHFFFAOYSA-N
MW277.25 g/mol
LogP2.04
Rot. Bonds5

About methyl 6-[propyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylate

methyl 6-[propyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylate (PubChem CID 66452050) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is methyl 6-[propyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[propyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylate
PubChem CID66452050
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC Namemethyl 6-[propyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylate
SMILESCCCN(CC(F)(F)F)c1cncc(C(=O)OC)n1
InChIInChI=1S/C11H14F3N3O2/c1-3-4-17(7-11(12,13)14)9-6-15-5-8(16-9)10(18)19-2/h5-6H,3-4,7H2,1-2H3
InChIKeyRAHTYGXDISWHLR-UHFFFAOYSA-N
XLogP2.04
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[propyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-[propyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylate (CID 66452050) is methyl 6-[propyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-[propyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-[propyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylate is CCCN(CC(F)(F)F)c1cncc(C(=O)OC)n1.
What is the InChIKey of methyl 6-[propyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylate?
The InChIKey is RAHTYGXDISWHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c1-3-4-17(7-11(12,13)14)9-6-15-5-8(16-9)10(18)19-2/h5-6H,3-4,7H2,1-2H3.
What are the key properties of methyl 6-[propyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylate?
methyl 6-[propyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylate has a molecular weight of 277.25 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[propyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylate is sourced from PubChem (CID 66452050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).