10-(methoxymethyl)pyrazino[2,3-b][1,4]benzothiazine-8-carboxylic acid

C13H11N3O3S — CID 11289238

IUPAC10-(methoxymethyl)pyrazino[2,3-b][1,4]benzothiazine-8-carboxylic acid
SMILESCOCN1c2cc(C(=O)O)ccc2Sc2nccnc21
InChIInChI=1S/C13H11N3O3S/c1-19-7-16-9-6-8(13(17)18)2-3-10(9)20-12-11(16)14-4-5-15-12/h2-6H,7H2,1H3,(H,17,18)
InChIKeyDHXAITKOVKIVJE-UHFFFAOYSA-N
MW289.32 g/mol
LogP2.38
Rot. Bonds3

About 10-(methoxymethyl)pyrazino[2,3-b][1,4]benzothiazine-8-carboxylic acid

10-(methoxymethyl)pyrazino[2,3-b][1,4]benzothiazine-8-carboxylic acid (PubChem CID 11289238) has the molecular formula C13H11N3O3S and a molecular weight of 289.32 g/mol. Its IUPAC name is 10-(methoxymethyl)pyrazino[2,3-b][1,4]benzothiazine-8-carboxylic acid.

Molecular Properties

Compound Name10-(methoxymethyl)pyrazino[2,3-b][1,4]benzothiazine-8-carboxylic acid
PubChem CID11289238
Molecular FormulaC13H11N3O3S
Molecular Weight289.32 g/mol
Exact Mass289.05
IUPAC Name10-(methoxymethyl)pyrazino[2,3-b][1,4]benzothiazine-8-carboxylic acid
SMILESCOCN1c2cc(C(=O)O)ccc2Sc2nccnc21
InChIInChI=1S/C13H11N3O3S/c1-19-7-16-9-6-8(13(17)18)2-3-10(9)20-12-11(16)14-4-5-15-12/h2-6H,7H2,1H3,(H,17,18)
InChIKeyDHXAITKOVKIVJE-UHFFFAOYSA-N
XLogP2.38
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 10-(methoxymethyl)pyrazino[2,3-b][1,4]benzothiazine-8-carboxylic acid?
The IUPAC name of 10-(methoxymethyl)pyrazino[2,3-b][1,4]benzothiazine-8-carboxylic acid (CID 11289238) is 10-(methoxymethyl)pyrazino[2,3-b][1,4]benzothiazine-8-carboxylic acid.
What is the SMILES notation for 10-(methoxymethyl)pyrazino[2,3-b][1,4]benzothiazine-8-carboxylic acid?
The canonical SMILES for 10-(methoxymethyl)pyrazino[2,3-b][1,4]benzothiazine-8-carboxylic acid is COCN1c2cc(C(=O)O)ccc2Sc2nccnc21.
What is the InChIKey of 10-(methoxymethyl)pyrazino[2,3-b][1,4]benzothiazine-8-carboxylic acid?
The InChIKey is DHXAITKOVKIVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3S/c1-19-7-16-9-6-8(13(17)18)2-3-10(9)20-12-11(16)14-4-5-15-12/h2-6H,7H2,1H3,(H,17,18).
What are the key properties of 10-(methoxymethyl)pyrazino[2,3-b][1,4]benzothiazine-8-carboxylic acid?
10-(methoxymethyl)pyrazino[2,3-b][1,4]benzothiazine-8-carboxylic acid has a molecular weight of 289.32 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(methoxymethyl)pyrazino[2,3-b][1,4]benzothiazine-8-carboxylic acid is sourced from PubChem (CID 11289238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).