methyl 6-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyrazine-2-carboxylate

C12H19N3O3 — CID 79390457

IUPACmethyl 6-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyrazine-2-carboxylate
SMILESCCN(CC(C)(C)O)c1cncc(C(=O)OC)n1
InChIInChI=1S/C12H19N3O3/c1-5-15(8-12(2,3)17)10-7-13-6-9(14-10)11(16)18-4/h6-7,17H,5,8H2,1-4H3
InChIKeyMLQFOEZPAFKPEC-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.86
Rot. Bonds5

About methyl 6-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyrazine-2-carboxylate

methyl 6-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyrazine-2-carboxylate (PubChem CID 79390457) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is methyl 6-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyrazine-2-carboxylate
PubChem CID79390457
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Namemethyl 6-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyrazine-2-carboxylate
SMILESCCN(CC(C)(C)O)c1cncc(C(=O)OC)n1
InChIInChI=1S/C12H19N3O3/c1-5-15(8-12(2,3)17)10-7-13-6-9(14-10)11(16)18-4/h6-7,17H,5,8H2,1-4H3
InChIKeyMLQFOEZPAFKPEC-UHFFFAOYSA-N
XLogP0.86
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyrazine-2-carboxylate (CID 79390457) is methyl 6-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyrazine-2-carboxylate is CCN(CC(C)(C)O)c1cncc(C(=O)OC)n1.
What is the InChIKey of methyl 6-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyrazine-2-carboxylate?
The InChIKey is MLQFOEZPAFKPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-5-15(8-12(2,3)17)10-7-13-6-9(14-10)11(16)18-4/h6-7,17H,5,8H2,1-4H3.
What are the key properties of methyl 6-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyrazine-2-carboxylate?
methyl 6-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyrazine-2-carboxylate has a molecular weight of 253.30 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyrazine-2-carboxylate is sourced from PubChem (CID 79390457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).