4-ethyl-2-methylpyrazino[2,3-b][1,4]thiazin-3-one

C9H11N3OS — CID 3040993

IUPAC4-ethyl-2-methylpyrazino[2,3-b][1,4]thiazin-3-one
SMILESCCN1C(=O)C(C)Sc2nccnc21
InChIInChI=1S/C9H11N3OS/c1-3-12-7-8(11-5-4-10-7)14-6(2)9(12)13/h4-6H,3H2,1-2H3
InChIKeyNCEJRBFCXYNDRQ-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.32
Rot. Bonds1

About 4-ethyl-2-methylpyrazino[2,3-b][1,4]thiazin-3-one

4-ethyl-2-methylpyrazino[2,3-b][1,4]thiazin-3-one (PubChem CID 3040993) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is 4-ethyl-2-methylpyrazino[2,3-b][1,4]thiazin-3-one.

Molecular Properties

Compound Name4-ethyl-2-methylpyrazino[2,3-b][1,4]thiazin-3-one
PubChem CID3040993
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name4-ethyl-2-methylpyrazino[2,3-b][1,4]thiazin-3-one
SMILESCCN1C(=O)C(C)Sc2nccnc21
InChIInChI=1S/C9H11N3OS/c1-3-12-7-8(11-5-4-10-7)14-6(2)9(12)13/h4-6H,3H2,1-2H3
InChIKeyNCEJRBFCXYNDRQ-UHFFFAOYSA-N
XLogP1.32
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methylpyrazino[2,3-b][1,4]thiazin-3-one?
The IUPAC name of 4-ethyl-2-methylpyrazino[2,3-b][1,4]thiazin-3-one (CID 3040993) is 4-ethyl-2-methylpyrazino[2,3-b][1,4]thiazin-3-one.
What is the SMILES notation for 4-ethyl-2-methylpyrazino[2,3-b][1,4]thiazin-3-one?
The canonical SMILES for 4-ethyl-2-methylpyrazino[2,3-b][1,4]thiazin-3-one is CCN1C(=O)C(C)Sc2nccnc21.
What is the InChIKey of 4-ethyl-2-methylpyrazino[2,3-b][1,4]thiazin-3-one?
The InChIKey is NCEJRBFCXYNDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-3-12-7-8(11-5-4-10-7)14-6(2)9(12)13/h4-6H,3H2,1-2H3.
What are the key properties of 4-ethyl-2-methylpyrazino[2,3-b][1,4]thiazin-3-one?
4-ethyl-2-methylpyrazino[2,3-b][1,4]thiazin-3-one has a molecular weight of 209.27 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methylpyrazino[2,3-b][1,4]thiazin-3-one is sourced from PubChem (CID 3040993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).