(7S)-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]triazin-4-one

C10H11N3OS — CID 733163

IUPAC(7S)-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]triazin-4-one
SMILESC[C@H]1CCc2c(sc3nn[nH]c(=O)c23)C1
InChIInChI=1S/C10H11N3OS/c1-5-2-3-6-7(4-5)15-10-8(6)9(14)11-13-12-10/h5H,2-4H2,1H3,(H,11,12,14)/t5-/m0/s1
InChIKeyVYAIMKYQYSEKME-YFKPBYRVSA-N
MW221.28 g/mol
LogP1.50
Rot. Bonds

About (7S)-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]triazin-4-one

(7S)-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]triazin-4-one (PubChem CID 733163) has the molecular formula C10H11N3OS and a molecular weight of 221.28 g/mol. Its IUPAC name is (7S)-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]triazin-4-one.

Molecular Properties

Compound Name(7S)-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]triazin-4-one
PubChem CID733163
Molecular FormulaC10H11N3OS
Molecular Weight221.28 g/mol
Exact Mass221.06
IUPAC Name(7S)-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]triazin-4-one
SMILESC[C@H]1CCc2c(sc3nn[nH]c(=O)c23)C1
InChIInChI=1S/C10H11N3OS/c1-5-2-3-6-7(4-5)15-10-8(6)9(14)11-13-12-10/h5H,2-4H2,1H3,(H,11,12,14)/t5-/m0/s1
InChIKeyVYAIMKYQYSEKME-YFKPBYRVSA-N
XLogP1.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (7S)-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]triazin-4-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

(7R)-7-methyl-2-propan-2-yl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 7391303
7-methyl-2-(sulfanylmethyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 24688636
(7S)-2-(chloromethyl)-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 2392383
(7R)-3-ethyl-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-4-one
CID 733644
3-ethyl-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-4-one
CID 2944829
2-(1-aminoethyl)-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 82025659
2-(hydrazinylmethyl)-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 171364479
ethyl 7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidine-2-carboxylate
CID 3150775
(7R)-7-methyl-2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 2460160
4-chloro-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine;7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 159342571
(7S)-7-methyl-3-(2-oxopropyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-4-one
CID 1194025
(7S)-2-[(4-acetylpiperazin-1-yl)methyl]-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 2464115

Frequently Asked Questions

What is the IUPAC name of (7S)-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]triazin-4-one?
The IUPAC name of (7S)-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]triazin-4-one (CID 733163) is (7S)-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]triazin-4-one.
What is the SMILES notation for (7S)-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]triazin-4-one?
The canonical SMILES for (7S)-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]triazin-4-one is C[C@H]1CCc2c(sc3nn[nH]c(=O)c23)C1.
What is the InChIKey of (7S)-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]triazin-4-one?
The InChIKey is VYAIMKYQYSEKME-YFKPBYRVSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-5-2-3-6-7(4-5)15-10-8(6)9(14)11-13-12-10/h5H,2-4H2,1H3,(H,11,12,14)/t5-/m0/s1.
What are the key properties of (7S)-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]triazin-4-one?
(7S)-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]triazin-4-one has a molecular weight of 221.28 g/mol, XLogP of 1.50, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]triazin-4-one is sourced from PubChem (CID 733163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).