3-[(4-hydroxyphenyl)sulfanylmethyl]-1,2,3-benzotriazin-4-one

C14H11N3O2S — CID 47262856

IUPAC3-[(4-hydroxyphenyl)sulfanylmethyl]-1,2,3-benzotriazin-4-one
SMILESO=c1c2ccccc2nnn1CSc1ccc(O)cc1
InChIInChI=1S/C14H11N3O2S/c18-10-5-7-11(8-6-10)20-9-17-14(19)12-3-1-2-4-13(12)15-16-17/h1-8,18H,9H2
InChIKeyWZXATARRUFEYCX-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.25
Rot. Bonds3

About 3-[(4-hydroxyphenyl)sulfanylmethyl]-1,2,3-benzotriazin-4-one

3-[(4-hydroxyphenyl)sulfanylmethyl]-1,2,3-benzotriazin-4-one (PubChem CID 47262856) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is 3-[(4-hydroxyphenyl)sulfanylmethyl]-1,2,3-benzotriazin-4-one.

Molecular Properties

Compound Name3-[(4-hydroxyphenyl)sulfanylmethyl]-1,2,3-benzotriazin-4-one
PubChem CID47262856
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC Name3-[(4-hydroxyphenyl)sulfanylmethyl]-1,2,3-benzotriazin-4-one
SMILESO=c1c2ccccc2nnn1CSc1ccc(O)cc1
InChIInChI=1S/C14H11N3O2S/c18-10-5-7-11(8-6-10)20-9-17-14(19)12-3-1-2-4-13(12)15-16-17/h1-8,18H,9H2
InChIKeyWZXATARRUFEYCX-UHFFFAOYSA-N
XLogP2.25
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(4-hydroxyphenyl)sulfanylmethyl]-1,2,3-benzotriazin-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

3-[(2-hydroxyphenyl)sulfanylmethyl]-1,2,3-benzotriazin-4-one
CID 62000335
3-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one
CID 2661385
6-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]-2H-1,2,4-triazine-3,5-dione
CID 2343815
ethane;3-ethyl-1,2,3-benzotriazin-4-one
CID 145233159
3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one
CID 4814680
3-[[4-(methylamino)quinazolin-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one
CID 43027757
3-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanylmethyl)-1,2,3-benzotriazin-4-one
CID 7149505
3-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one
CID 43250412
3-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one
CID 2089374
3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(2-phenylsulfanylethyl)propanamide
CID 39444643
3-[[(4-chlorophenyl)-phenylmethyl]sulfanylmethyl]-1,2,3-benzotriazin-4-one
CID 4850740
5-methyl-1-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]triazole-4-carboxylic acid
CID 62054721

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxyphenyl)sulfanylmethyl]-1,2,3-benzotriazin-4-one?
The IUPAC name of 3-[(4-hydroxyphenyl)sulfanylmethyl]-1,2,3-benzotriazin-4-one (CID 47262856) is 3-[(4-hydroxyphenyl)sulfanylmethyl]-1,2,3-benzotriazin-4-one.
What is the SMILES notation for 3-[(4-hydroxyphenyl)sulfanylmethyl]-1,2,3-benzotriazin-4-one?
The canonical SMILES for 3-[(4-hydroxyphenyl)sulfanylmethyl]-1,2,3-benzotriazin-4-one is O=c1c2ccccc2nnn1CSc1ccc(O)cc1.
What is the InChIKey of 3-[(4-hydroxyphenyl)sulfanylmethyl]-1,2,3-benzotriazin-4-one?
The InChIKey is WZXATARRUFEYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c18-10-5-7-11(8-6-10)20-9-17-14(19)12-3-1-2-4-13(12)15-16-17/h1-8,18H,9H2.
What are the key properties of 3-[(4-hydroxyphenyl)sulfanylmethyl]-1,2,3-benzotriazin-4-one?
3-[(4-hydroxyphenyl)sulfanylmethyl]-1,2,3-benzotriazin-4-one has a molecular weight of 285.33 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxyphenyl)sulfanylmethyl]-1,2,3-benzotriazin-4-one is sourced from PubChem (CID 47262856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).