methyl 3-amino-6-chloro-5-(2,2,2-trifluoroethylamino)pyrazine-2-carboxylate

C8H8ClF3N4O2 — CID 3014007

IUPACmethyl 3-amino-6-chloro-5-(2,2,2-trifluoroethylamino)pyrazine-2-carboxylate
SMILESCOC(=O)c1nc(Cl)c(NCC(F)(F)F)nc1N
InChIInChI=1S/C8H8ClF3N4O2/c1-18-7(17)3-5(13)16-6(4(9)15-3)14-2-8(10,11)12/h2H2,1H3,(H3,13,14,16)
InChIKeyUXJIDHYQEAVMTO-UHFFFAOYSA-N
MW284.63 g/mol
LogP1.47
Rot. Bonds3

About methyl 3-amino-6-chloro-5-(2,2,2-trifluoroethylamino)pyrazine-2-carboxylate

methyl 3-amino-6-chloro-5-(2,2,2-trifluoroethylamino)pyrazine-2-carboxylate (PubChem CID 3014007) has the molecular formula C8H8ClF3N4O2 and a molecular weight of 284.63 g/mol. Its IUPAC name is methyl 3-amino-6-chloro-5-(2,2,2-trifluoroethylamino)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-6-chloro-5-(2,2,2-trifluoroethylamino)pyrazine-2-carboxylate
PubChem CID3014007
Molecular FormulaC8H8ClF3N4O2
Molecular Weight284.63 g/mol
Exact Mass284.03
IUPAC Namemethyl 3-amino-6-chloro-5-(2,2,2-trifluoroethylamino)pyrazine-2-carboxylate
SMILESCOC(=O)c1nc(Cl)c(NCC(F)(F)F)nc1N
InChIInChI=1S/C8H8ClF3N4O2/c1-18-7(17)3-5(13)16-6(4(9)15-3)14-2-8(10,11)12/h2H2,1H3,(H3,13,14,16)
InChIKeyUXJIDHYQEAVMTO-UHFFFAOYSA-N
XLogP1.47
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.63
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-6-chloro-5-(2,2,2-trifluoroethylamino)pyrazine-2-carboxylate?
The IUPAC name of methyl 3-amino-6-chloro-5-(2,2,2-trifluoroethylamino)pyrazine-2-carboxylate (CID 3014007) is methyl 3-amino-6-chloro-5-(2,2,2-trifluoroethylamino)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-6-chloro-5-(2,2,2-trifluoroethylamino)pyrazine-2-carboxylate?
The canonical SMILES for methyl 3-amino-6-chloro-5-(2,2,2-trifluoroethylamino)pyrazine-2-carboxylate is COC(=O)c1nc(Cl)c(NCC(F)(F)F)nc1N.
What is the InChIKey of methyl 3-amino-6-chloro-5-(2,2,2-trifluoroethylamino)pyrazine-2-carboxylate?
The InChIKey is UXJIDHYQEAVMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF3N4O2/c1-18-7(17)3-5(13)16-6(4(9)15-3)14-2-8(10,11)12/h2H2,1H3,(H3,13,14,16).
What are the key properties of methyl 3-amino-6-chloro-5-(2,2,2-trifluoroethylamino)pyrazine-2-carboxylate?
methyl 3-amino-6-chloro-5-(2,2,2-trifluoroethylamino)pyrazine-2-carboxylate has a molecular weight of 284.63 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-6-chloro-5-(2,2,2-trifluoroethylamino)pyrazine-2-carboxylate is sourced from PubChem (CID 3014007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).