6-(oxan-2-ylmethylamino)pyrazine-2-carboxylic acid

C11H15N3O3 — CID 66449698

IUPAC6-(oxan-2-ylmethylamino)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cncc(NCC2CCCCO2)n1
InChIInChI=1S/C11H15N3O3/c15-11(16)9-6-12-7-10(14-9)13-5-8-3-1-2-4-17-8/h6-8H,1-5H2,(H,13,14)(H,15,16)
InChIKeyYHVKCXBAKOLDBT-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.16
Rot. Bonds4

About 6-(oxan-2-ylmethylamino)pyrazine-2-carboxylic acid

6-(oxan-2-ylmethylamino)pyrazine-2-carboxylic acid (PubChem CID 66449698) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 6-(oxan-2-ylmethylamino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-(oxan-2-ylmethylamino)pyrazine-2-carboxylic acid
PubChem CID66449698
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name6-(oxan-2-ylmethylamino)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cncc(NCC2CCCCO2)n1
InChIInChI=1S/C11H15N3O3/c15-11(16)9-6-12-7-10(14-9)13-5-8-3-1-2-4-17-8/h6-8H,1-5H2,(H,13,14)(H,15,16)
InChIKeyYHVKCXBAKOLDBT-UHFFFAOYSA-N
XLogP1.16
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(oxan-2-ylmethylamino)pyrazine-2-carboxylic acid?
The IUPAC name of 6-(oxan-2-ylmethylamino)pyrazine-2-carboxylic acid (CID 66449698) is 6-(oxan-2-ylmethylamino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-(oxan-2-ylmethylamino)pyrazine-2-carboxylic acid?
The canonical SMILES for 6-(oxan-2-ylmethylamino)pyrazine-2-carboxylic acid is O=C(O)c1cncc(NCC2CCCCO2)n1.
What is the InChIKey of 6-(oxan-2-ylmethylamino)pyrazine-2-carboxylic acid?
The InChIKey is YHVKCXBAKOLDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c15-11(16)9-6-12-7-10(14-9)13-5-8-3-1-2-4-17-8/h6-8H,1-5H2,(H,13,14)(H,15,16).
What are the key properties of 6-(oxan-2-ylmethylamino)pyrazine-2-carboxylic acid?
6-(oxan-2-ylmethylamino)pyrazine-2-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxan-2-ylmethylamino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 66449698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).