6-(hydroxymethyl)-4H-pyrazino[2,3-b][1,4]thiazin-3-one

C7H7N3O2S — CID 126613471

IUPAC6-(hydroxymethyl)-4H-pyrazino[2,3-b][1,4]thiazin-3-one
SMILESO=C1CSc2ncc(CO)nc2N1
InChIInChI=1S/C7H7N3O2S/c11-2-4-1-8-7-6(9-4)10-5(12)3-13-7/h1,11H,2-3H2,(H,9,10,12)
InChIKeyOSQKCEWPZKAWEC-UHFFFAOYSA-N
MW197.22 g/mol
LogP0.01
Rot. Bonds1

About 6-(hydroxymethyl)-4H-pyrazino[2,3-b][1,4]thiazin-3-one

6-(hydroxymethyl)-4H-pyrazino[2,3-b][1,4]thiazin-3-one (PubChem CID 126613471) has the molecular formula C7H7N3O2S and a molecular weight of 197.22 g/mol. Its IUPAC name is 6-(hydroxymethyl)-4H-pyrazino[2,3-b][1,4]thiazin-3-one.

Molecular Properties

Compound Name6-(hydroxymethyl)-4H-pyrazino[2,3-b][1,4]thiazin-3-one
PubChem CID126613471
Molecular FormulaC7H7N3O2S
Molecular Weight197.22 g/mol
Exact Mass197.03
IUPAC Name6-(hydroxymethyl)-4H-pyrazino[2,3-b][1,4]thiazin-3-one
SMILESO=C1CSc2ncc(CO)nc2N1
InChIInChI=1S/C7H7N3O2S/c11-2-4-1-8-7-6(9-4)10-5(12)3-13-7/h1,11H,2-3H2,(H,9,10,12)
InChIKeyOSQKCEWPZKAWEC-UHFFFAOYSA-N
XLogP0.01
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.22
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(hydroxymethyl)-4H-pyrazino[2,3-b][1,4]thiazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(hydroxymethyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 11608093
7-ethyl-1H-pyrido[2,3-b][1,4]thiazin-2-one
CID 89066606
7-iodo-1H-pyrido[2,3-b][1,4]thiazin-2-one
CID 170247234
6-[[[4-[[3-fluoro-6-[(E)-hydroxyiminomethyl]-1,5-naphthyridin-4-yl]methylamino]cyclohexyl]amino]methyl]-4H-pyrazino[2,3-b][1,4]thiazin-3-one
CID 137441910
6-[(3R)-5-(azidomethyl)-2-oxopyrrolidin-3-yl]-4H-pyrazino[2,3-b][1,4]thiazin-3-one
CID 155662434
6-[[[3-[(6-fluoro-3-methoxyquinoxalin-5-yl)methylamino]cyclobutyl]methylamino]methyl]-4H-pyrazino[2,3-b][1,4]thiazin-3-one
CID 137442020
2-ethyl-8H-pyrimido[5,4-b][1,4]thiazin-7-one
CID 89082670
6-[[[(3S,4S)-4-hydroxy-1-[2-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]pyrrolidin-3-yl]methylamino]methyl]-4H-pyrazino[2,3-b][1,4]thiazin-3-one
CID 126601090
6,8-difluoro-1-methyl-4-oxo-5-[2-[4-[(3-oxo-4H-pyrazino[2,3-b][1,4]thiazin-6-yl)methylamino]cyclohexyl]ethyl]quinoline-3-carboxylic acid
CID 91844661
butan-2-one;6-[(cyclohexylamino)methyl]-4H-pyrazino[2,3-b][1,4]thiazin-3-one;5-ethyl-6,8-difluoro-1-methyl-4-oxoquinoline-3-carboxylic acid
CID 145260841
3-amino-5H-pyridazino[3,4-b][1,4]thiazin-6-one
CID 165475166
(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methyl N-(2-oxoethyl)carbamate
CID 135236065

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-4H-pyrazino[2,3-b][1,4]thiazin-3-one?
The IUPAC name of 6-(hydroxymethyl)-4H-pyrazino[2,3-b][1,4]thiazin-3-one (CID 126613471) is 6-(hydroxymethyl)-4H-pyrazino[2,3-b][1,4]thiazin-3-one.
What is the SMILES notation for 6-(hydroxymethyl)-4H-pyrazino[2,3-b][1,4]thiazin-3-one?
The canonical SMILES for 6-(hydroxymethyl)-4H-pyrazino[2,3-b][1,4]thiazin-3-one is O=C1CSc2ncc(CO)nc2N1.
What is the InChIKey of 6-(hydroxymethyl)-4H-pyrazino[2,3-b][1,4]thiazin-3-one?
The InChIKey is OSQKCEWPZKAWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2S/c11-2-4-1-8-7-6(9-4)10-5(12)3-13-7/h1,11H,2-3H2,(H,9,10,12).
What are the key properties of 6-(hydroxymethyl)-4H-pyrazino[2,3-b][1,4]thiazin-3-one?
6-(hydroxymethyl)-4H-pyrazino[2,3-b][1,4]thiazin-3-one has a molecular weight of 197.22 g/mol, XLogP of 0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-4H-pyrazino[2,3-b][1,4]thiazin-3-one is sourced from PubChem (CID 126613471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).