methyl 6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrazine-2-carboxylate

C10H12F3N3O3 — CID 66458107

IUPACmethyl 6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NCCOCC(F)(F)F)n1
InChIInChI=1S/C10H12F3N3O3/c1-18-9(17)7-4-14-5-8(16-7)15-2-3-19-6-10(11,12)13/h4-5H,2-3,6H2,1H3,(H,15,16)
InChIKeyNRPIMBZXQPNBCU-UHFFFAOYSA-N
MW279.22 g/mol
LogP1.25
Rot. Bonds6

About methyl 6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrazine-2-carboxylate

methyl 6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrazine-2-carboxylate (PubChem CID 66458107) has the molecular formula C10H12F3N3O3 and a molecular weight of 279.22 g/mol. Its IUPAC name is methyl 6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrazine-2-carboxylate
PubChem CID66458107
Molecular FormulaC10H12F3N3O3
Molecular Weight279.22 g/mol
Exact Mass279.08
IUPAC Namemethyl 6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NCCOCC(F)(F)F)n1
InChIInChI=1S/C10H12F3N3O3/c1-18-9(17)7-4-14-5-8(16-7)15-2-3-19-6-10(11,12)13/h4-5H,2-3,6H2,1H3,(H,15,16)
InChIKeyNRPIMBZXQPNBCU-UHFFFAOYSA-N
XLogP1.25
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(6-methoxycarbonylpyrazin-2-yl)amino]propanoic acid
CID 66454375
methyl 6-[2-(methylsulfamoyl)ethylamino]pyrazine-2-carboxylate
CID 114175311
methyl 6-(2-cyclopentylethylamino)pyrazine-2-carboxylate
CID 66456697
methyl 6-[2-(4-chlorophenyl)ethylamino]pyrazine-2-carboxylate
CID 66458088
methyl 6-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carboxylate
CID 66457279
methyl 6-[(2-hydroxy-3-methoxypropyl)amino]pyrazine-2-carboxylate
CID 66457721
methyl 6-[2-(3-aminophenoxy)ethylamino]pyrazine-2-carboxylate
CID 66457557
methyl 6-(2,4,4-trimethylpentan-2-ylamino)pyrazine-2-carboxylate
CID 66449702
6-[2-(2-methylprop-2-enoxy)ethylamino]pyrazine-2-carboxylic acid
CID 114468104
methyl 6-(3-pyrazol-1-ylpropylamino)pyrazine-2-carboxylate
CID 113247403
methyl 6-(2-pyridin-3-ylethylamino)pyrazine-2-carboxylate
CID 66456102
methyl 6-[2-(2-methylphenyl)ethylamino]pyrazine-2-carboxylate
CID 79749113

Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrazine-2-carboxylate (CID 66458107) is methyl 6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrazine-2-carboxylate is COC(=O)c1cncc(NCCOCC(F)(F)F)n1.
What is the InChIKey of methyl 6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrazine-2-carboxylate?
The InChIKey is NRPIMBZXQPNBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O3/c1-18-9(17)7-4-14-5-8(16-7)15-2-3-19-6-10(11,12)13/h4-5H,2-3,6H2,1H3,(H,15,16).
What are the key properties of methyl 6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrazine-2-carboxylate?
methyl 6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrazine-2-carboxylate has a molecular weight of 279.22 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrazine-2-carboxylate is sourced from PubChem (CID 66458107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).