6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)pyrazine-2-carboxylic acid

C12H15N3O3 — CID 66449301

IUPAC6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cncc(N2CCOC3CCCC32)n1
InChIInChI=1S/C12H15N3O3/c16-12(17)8-6-13-7-11(14-8)15-4-5-18-10-3-1-2-9(10)15/h6-7,9-10H,1-5H2,(H,16,17)
InChIKeyYYFGYQGUQVGMON-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.93
Rot. Bonds2

About 6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)pyrazine-2-carboxylic acid

6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)pyrazine-2-carboxylic acid (PubChem CID 66449301) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)pyrazine-2-carboxylic acid
PubChem CID66449301
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cncc(N2CCOC3CCCC32)n1
InChIInChI=1S/C12H15N3O3/c16-12(17)8-6-13-7-11(14-8)15-4-5-18-10-3-1-2-9(10)15/h6-7,9-10H,1-5H2,(H,16,17)
InChIKeyYYFGYQGUQVGMON-UHFFFAOYSA-N
XLogP0.93
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)pyrazine-2-carboxylic acid?
The IUPAC name of 6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)pyrazine-2-carboxylic acid (CID 66449301) is 6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)pyrazine-2-carboxylic acid?
The canonical SMILES for 6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)pyrazine-2-carboxylic acid is O=C(O)c1cncc(N2CCOC3CCCC32)n1.
What is the InChIKey of 6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)pyrazine-2-carboxylic acid?
The InChIKey is YYFGYQGUQVGMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c16-12(17)8-6-13-7-11(14-8)15-4-5-18-10-3-1-2-9(10)15/h6-7,9-10H,1-5H2,(H,16,17).
What are the key properties of 6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)pyrazine-2-carboxylic acid?
6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)pyrazine-2-carboxylic acid has a molecular weight of 249.27 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 66449301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).