tert-butyl 6-(2-hydroxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate

C11H21N3O3 — CID 103397897

IUPACtert-butyl 6-(2-hydroxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN=C(NCCO)C1
InChIInChI=1S/C11H21N3O3/c1-11(2,3)17-10(16)14-6-4-12-9(8-14)13-5-7-15/h15H,4-8H2,1-3H3,(H,12,13)
InChIKeyYRELPWLXGAWCIR-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.22
Rot. Bonds2

About tert-butyl 6-(2-hydroxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate

tert-butyl 6-(2-hydroxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103397897) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is tert-butyl 6-(2-hydroxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-(2-hydroxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103397897
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Nametert-butyl 6-(2-hydroxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN=C(NCCO)C1
InChIInChI=1S/C11H21N3O3/c1-11(2,3)17-10(16)14-6-4-12-9(8-14)13-5-7-15/h15H,4-8H2,1-3H3,(H,12,13)
InChIKeyYRELPWLXGAWCIR-UHFFFAOYSA-N
XLogP0.22
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-(2-hydroxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-(2-hydroxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103397897) is tert-butyl 6-(2-hydroxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-(2-hydroxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-(2-hydroxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate is CC(C)(C)OC(=O)N1CCN=C(NCCO)C1.
What is the InChIKey of tert-butyl 6-(2-hydroxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is YRELPWLXGAWCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-11(2,3)17-10(16)14-6-4-12-9(8-14)13-5-7-15/h15H,4-8H2,1-3H3,(H,12,13).
What are the key properties of tert-butyl 6-(2-hydroxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-(2-hydroxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 243.31 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-(2-hydroxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103397897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).