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

C11H14F3N3O2 — CID 66449298

IUPACmethyl 6-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(N(CC(F)(F)F)C(C)C)n1
InChIInChI=1S/C11H14F3N3O2/c1-7(2)17(6-11(12,13)14)9-5-15-4-8(16-9)10(18)19-3/h4-5,7H,6H2,1-3H3
InChIKeyWQEHCCYAQQBYEO-UHFFFAOYSA-N
MW277.25 g/mol
LogP2.04
Rot. Bonds4

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

methyl 6-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylate (PubChem CID 66449298) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is methyl 6-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylate
PubChem CID66449298
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC Namemethyl 6-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(N(CC(F)(F)F)C(C)C)n1
InChIInChI=1S/C11H14F3N3O2/c1-7(2)17(6-11(12,13)14)9-5-15-4-8(16-9)10(18)19-3/h4-5,7H,6H2,1-3H3
InChIKeyWQEHCCYAQQBYEO-UHFFFAOYSA-N
XLogP2.04
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
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

Analyze methyl 6-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylate 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 methyl 6-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylate (CID 66449298) is methyl 6-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylate is COC(=O)c1cncc(N(CC(F)(F)F)C(C)C)n1.
What is the InChIKey of methyl 6-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylate?
The InChIKey is WQEHCCYAQQBYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c1-7(2)17(6-11(12,13)14)9-5-15-4-8(16-9)10(18)19-3/h4-5,7H,6H2,1-3H3.
What are the key properties of methyl 6-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylate?
methyl 6-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylate has a molecular weight of 277.25 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylate is sourced from PubChem (CID 66449298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).