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

C11H15N3O3 — CID 62710489

IUPAC3-(oxan-2-ylmethylamino)pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1NCC1CCCCO1
InChIInChI=1S/C11H15N3O3/c15-11(16)9-10(13-5-4-12-9)14-7-8-3-1-2-6-17-8/h4-5,8H,1-3,6-7H2,(H,13,14)(H,15,16)
InChIKeyJKXZMGJEWAGAIA-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.16
Rot. Bonds4

About 3-(oxan-2-ylmethylamino)pyrazine-2-carboxylic acid

3-(oxan-2-ylmethylamino)pyrazine-2-carboxylic acid (PubChem CID 62710489) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-(oxan-2-ylmethylamino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(oxan-2-ylmethylamino)pyrazine-2-carboxylic acid
PubChem CID62710489
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name3-(oxan-2-ylmethylamino)pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1NCC1CCCCO1
InChIInChI=1S/C11H15N3O3/c15-11(16)9-10(13-5-4-12-9)14-7-8-3-1-2-6-17-8/h4-5,8H,1-3,6-7H2,(H,13,14)(H,15,16)
InChIKeyJKXZMGJEWAGAIA-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 3-(oxan-2-ylmethylamino)pyrazine-2-carboxylic acid?
The IUPAC name of 3-(oxan-2-ylmethylamino)pyrazine-2-carboxylic acid (CID 62710489) is 3-(oxan-2-ylmethylamino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-(oxan-2-ylmethylamino)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-(oxan-2-ylmethylamino)pyrazine-2-carboxylic acid is O=C(O)c1nccnc1NCC1CCCCO1.
What is the InChIKey of 3-(oxan-2-ylmethylamino)pyrazine-2-carboxylic acid?
The InChIKey is JKXZMGJEWAGAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c15-11(16)9-10(13-5-4-12-9)14-7-8-3-1-2-6-17-8/h4-5,8H,1-3,6-7H2,(H,13,14)(H,15,16).
What are the key properties of 3-(oxan-2-ylmethylamino)pyrazine-2-carboxylic acid?
3-(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 3-(oxan-2-ylmethylamino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 62710489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).