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

C9H9N3OS — CID 718273

IUPAC5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]triazin-4-one
SMILESO=c1[nH]nnc2sc3c(c12)CCCC3
InChIInChI=1S/C9H9N3OS/c13-8-7-5-3-1-2-4-6(5)14-9(7)11-12-10-8/h1-4H2,(H,10,11,13)
InChIKeyGTRWBCRNNYLZNQ-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.26
Rot. Bonds

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

5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]triazin-4-one (PubChem CID 718273) has the molecular formula C9H9N3OS and a molecular weight of 207.26 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]triazin-4-one.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]triazin-4-one
PubChem CID718273
Molecular FormulaC9H9N3OS
Molecular Weight207.26 g/mol
Exact Mass207.05
IUPAC Name5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]triazin-4-one
SMILESO=c1[nH]nnc2sc3c(c12)CCCC3
InChIInChI=1S/C9H9N3OS/c13-8-7-5-3-1-2-4-6(5)14-9(7)11-12-10-8/h1-4H2,(H,10,11,13)
InChIKeyGTRWBCRNNYLZNQ-UHFFFAOYSA-N
XLogP1.26
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4H,5H,6H,7H,8H-cyclohepta(b)thiophene-3-carboxamide
CID 2997881
2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 290223
2-Amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2852749
2-Amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 616673
2-Amino-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2862027
2-Amino-4,5,6,7-tetrahydro-6-propylbenzo(b)thiophene-3-carboxamide
CID 2887357
3-Methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-4-one
CID 937062
2-Amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2861874
2-Amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazin-4-one
CID 647240
7-methyl-3-propyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
CID 3241784
1-(2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)ethan-1-one
CID 12394684
7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
CID 2792869

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]triazin-4-one?
The IUPAC name of 5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]triazin-4-one (CID 718273) is 5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]triazin-4-one.
What is the SMILES notation for 5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]triazin-4-one?
The canonical SMILES for 5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]triazin-4-one is O=c1[nH]nnc2sc3c(c12)CCCC3.
What is the InChIKey of 5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]triazin-4-one?
The InChIKey is GTRWBCRNNYLZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS/c13-8-7-5-3-1-2-4-6(5)14-9(7)11-12-10-8/h1-4H2,(H,10,11,13).
What are the key properties of 5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]triazin-4-one?
5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]triazin-4-one has a molecular weight of 207.26 g/mol, XLogP of 1.26, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]triazin-4-one is sourced from PubChem (CID 718273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).