4-(triazolo[4,5-b]pyridin-3-yl)thiane 1,1-dioxide

C10H12N4O2S — CID 117159283

IUPAC4-(triazolo[4,5-b]pyridin-3-yl)thiane 1,1-dioxide
SMILESO=S1(=O)CCC(n2nnc3cccnc32)CC1
InChIInChI=1S/C10H12N4O2S/c15-17(16)6-3-8(4-7-17)14-10-9(12-13-14)2-1-5-11-10/h1-2,5,8H,3-4,6-7H2
InChIKeyOTTSGCZHBTVDKO-UHFFFAOYSA-N
MW252.30 g/mol
LogP0.58
Rot. Bonds1

About 4-(triazolo[4,5-b]pyridin-3-yl)thiane 1,1-dioxide

4-(triazolo[4,5-b]pyridin-3-yl)thiane 1,1-dioxide (PubChem CID 117159283) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is 4-(triazolo[4,5-b]pyridin-3-yl)thiane 1,1-dioxide.

Molecular Properties

Compound Name4-(triazolo[4,5-b]pyridin-3-yl)thiane 1,1-dioxide
PubChem CID117159283
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC Name4-(triazolo[4,5-b]pyridin-3-yl)thiane 1,1-dioxide
SMILESO=S1(=O)CCC(n2nnc3cccnc32)CC1
InChIInChI=1S/C10H12N4O2S/c15-17(16)6-3-8(4-7-17)14-10-9(12-13-14)2-1-5-11-10/h1-2,5,8H,3-4,6-7H2
InChIKeyOTTSGCZHBTVDKO-UHFFFAOYSA-N
XLogP0.58
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(triazolo[4,5-b]pyridin-3-yl)thiane 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-(triazolo[4,5-b]pyridin-3-yl)thiane 1,1-dioxide
CID 117159303
4-(triazolo[4,5-b]pyridin-3-ylmethyl)thiane 1,1-dioxide
CID 117159296
3-(thian-3-yl)triazolo[4,5-b]pyridine
CID 117159304
3-(3-methylcyclobutyl)triazolo[4,5-b]pyridine
CID 168997176
4-(2-ethylimidazo[4,5-b]pyridin-3-yl)thiane 1,1-dioxide
CID 117165614
3-(triazolo[4,5-b]pyridin-3-ylmethyl)thiane 1,1-dioxide
CID 117159337
4-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]thiane 1,1-dioxide
CID 79294292
4-[(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)methyl]thiane 1,1-dioxide
CID 117161703
4-(1H-indol-3-yl)-1-[4-(triazolo[4,5-b]pyridin-3-yl)piperidin-1-yl]butan-1-one
CID 16670545
3-[2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]thiolane 1,1-dioxide
CID 117165589
3-cyclopropyltriazolo[4,5-b]pyridin-5-amine
CID 84655218
4-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]thiane 1,1-dioxide
CID 117160904

Frequently Asked Questions

What is the IUPAC name of 4-(triazolo[4,5-b]pyridin-3-yl)thiane 1,1-dioxide?
The IUPAC name of 4-(triazolo[4,5-b]pyridin-3-yl)thiane 1,1-dioxide (CID 117159283) is 4-(triazolo[4,5-b]pyridin-3-yl)thiane 1,1-dioxide.
What is the SMILES notation for 4-(triazolo[4,5-b]pyridin-3-yl)thiane 1,1-dioxide?
The canonical SMILES for 4-(triazolo[4,5-b]pyridin-3-yl)thiane 1,1-dioxide is O=S1(=O)CCC(n2nnc3cccnc32)CC1.
What is the InChIKey of 4-(triazolo[4,5-b]pyridin-3-yl)thiane 1,1-dioxide?
The InChIKey is OTTSGCZHBTVDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c15-17(16)6-3-8(4-7-17)14-10-9(12-13-14)2-1-5-11-10/h1-2,5,8H,3-4,6-7H2.
What are the key properties of 4-(triazolo[4,5-b]pyridin-3-yl)thiane 1,1-dioxide?
4-(triazolo[4,5-b]pyridin-3-yl)thiane 1,1-dioxide has a molecular weight of 252.30 g/mol, XLogP of 0.58, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(triazolo[4,5-b]pyridin-3-yl)thiane 1,1-dioxide is sourced from PubChem (CID 117159283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).