methyl 6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyrazine-2-carboxylate

C13H17N3O3 — CID 66456799

IUPACmethyl 6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(N2C3CCC2CC(O)C3)n1
InChIInChI=1S/C13H17N3O3/c1-19-13(18)11-6-14-7-12(15-11)16-8-2-3-9(16)5-10(17)4-8/h6-10,17H,2-5H2,1H3
InChIKeyKLQJKJRYLZAFRX-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.76
Rot. Bonds2

About methyl 6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyrazine-2-carboxylate

methyl 6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyrazine-2-carboxylate (PubChem CID 66456799) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is methyl 6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyrazine-2-carboxylate
PubChem CID66456799
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Namemethyl 6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(N2C3CCC2CC(O)C3)n1
InChIInChI=1S/C13H17N3O3/c1-19-13(18)11-6-14-7-12(15-11)16-8-2-3-9(16)5-10(17)4-8/h6-10,17H,2-5H2,1H3
InChIKeyKLQJKJRYLZAFRX-UHFFFAOYSA-N
XLogP0.76
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyrazine-2-carboxylate?
The IUPAC name of methyl 6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyrazine-2-carboxylate (CID 66456799) is methyl 6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyrazine-2-carboxylate is COC(=O)c1cncc(N2C3CCC2CC(O)C3)n1.
What is the InChIKey of methyl 6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyrazine-2-carboxylate?
The InChIKey is KLQJKJRYLZAFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-19-13(18)11-6-14-7-12(15-11)16-8-2-3-9(16)5-10(17)4-8/h6-10,17H,2-5H2,1H3.
What are the key properties of methyl 6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyrazine-2-carboxylate?
methyl 6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyrazine-2-carboxylate has a molecular weight of 263.30 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyrazine-2-carboxylate is sourced from PubChem (CID 66456799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).