3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]thiolane 1,1-dioxide

C8H9N5O3S — CID 63904992

IUPAC3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(c2nc(-c3ncn[nH]3)no2)C1
InChIInChI=1S/C8H9N5O3S/c14-17(15)2-1-5(3-17)8-11-7(13-16-8)6-9-4-10-12-6/h4-5H,1-3H2,(H,9,10,12)
InChIKeySGOFKLAWQVIBIG-UHFFFAOYSA-N
MW255.26 g/mol
LogP-0.24
Rot. Bonds2

About 3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]thiolane 1,1-dioxide

3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]thiolane 1,1-dioxide (PubChem CID 63904992) has the molecular formula C8H9N5O3S and a molecular weight of 255.26 g/mol. Its IUPAC name is 3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]thiolane 1,1-dioxide
PubChem CID63904992
Molecular FormulaC8H9N5O3S
Molecular Weight255.26 g/mol
Exact Mass255.04
IUPAC Name3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(c2nc(-c3ncn[nH]3)no2)C1
InChIInChI=1S/C8H9N5O3S/c14-17(15)2-1-5(3-17)8-11-7(13-16-8)6-9-4-10-12-6/h4-5H,1-3H2,(H,9,10,12)
InChIKeySGOFKLAWQVIBIG-UHFFFAOYSA-N
XLogP-0.24
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]thiolane 1,1-dioxide 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-[3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]thiolane 1,1-dioxide
CID 71980978
2-[5-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-3-yl]aniline
CID 63903667
3-(3-chloro-1,2,4-oxadiazol-5-yl)thiolane 1,1-dioxide
CID 112572058
5-(3-methyloxolan-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 81424483
5-(4-methylpiperidin-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 114424820
1-cyclopropyl-2-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanone
CID 63346839
3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole-5-carbaldehyde
CID 63773186
5-(2,3-dihydro-1H-indol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 80565062
3-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)thiane 1,1-dioxide
CID 126840136
5-(3-ethylthiophen-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 78953697
3-(5-pyrrolidin-3-yl-1,2,4-oxadiazol-3-yl)thiolane 1,1-dioxide
CID 115336043
N-[[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine
CID 60836414

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]thiolane 1,1-dioxide?
The IUPAC name of 3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]thiolane 1,1-dioxide (CID 63904992) is 3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]thiolane 1,1-dioxide.
What is the SMILES notation for 3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]thiolane 1,1-dioxide?
The canonical SMILES for 3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]thiolane 1,1-dioxide is O=S1(=O)CCC(c2nc(-c3ncn[nH]3)no2)C1.
What is the InChIKey of 3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]thiolane 1,1-dioxide?
The InChIKey is SGOFKLAWQVIBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O3S/c14-17(15)2-1-5(3-17)8-11-7(13-16-8)6-9-4-10-12-6/h4-5H,1-3H2,(H,9,10,12).
What are the key properties of 3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]thiolane 1,1-dioxide?
3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]thiolane 1,1-dioxide has a molecular weight of 255.26 g/mol, XLogP of -0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]thiolane 1,1-dioxide is sourced from PubChem (CID 63904992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).