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

C11H14N4O2S — CID 117159296

IUPAC4-(triazolo[4,5-b]pyridin-3-ylmethyl)thiane 1,1-dioxide
SMILESO=S1(=O)CCC(Cn2nnc3cccnc32)CC1
InChIInChI=1S/C11H14N4O2S/c16-18(17)6-3-9(4-7-18)8-15-11-10(13-14-15)2-1-5-12-11/h1-2,5,9H,3-4,6-8H2
InChIKeyQXITXQYKCSIHLM-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.65
Rot. Bonds2

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

4-(triazolo[4,5-b]pyridin-3-ylmethyl)thiane 1,1-dioxide (PubChem CID 117159296) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 4-(triazolo[4,5-b]pyridin-3-ylmethyl)thiane 1,1-dioxide.

Molecular Properties

Compound Name4-(triazolo[4,5-b]pyridin-3-ylmethyl)thiane 1,1-dioxide
PubChem CID117159296
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name4-(triazolo[4,5-b]pyridin-3-ylmethyl)thiane 1,1-dioxide
SMILESO=S1(=O)CCC(Cn2nnc3cccnc32)CC1
InChIInChI=1S/C11H14N4O2S/c16-18(17)6-3-9(4-7-18)8-15-11-10(13-14-15)2-1-5-12-11/h1-2,5,9H,3-4,6-8H2
InChIKeyQXITXQYKCSIHLM-UHFFFAOYSA-N
XLogP0.65
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(triazolo[4,5-b]pyridin-3-ylmethyl)thiane 1,1-dioxide
CID 117159337
4-(triazolo[4,5-b]pyridin-3-yl)thiane 1,1-dioxide
CID 117159283
3-(thian-3-ylmethyl)triazolo[4,5-b]pyridine
CID 117159338
3-(triazolo[4,5-b]pyridin-3-yl)thiane 1,1-dioxide
CID 117159303
4-[(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)methyl]thiane 1,1-dioxide
CID 117161703
triazolo[4,5-b]pyridin-3-ylmethanol
CID 141117967
4-(2-ethylimidazo[4,5-b]pyridin-3-yl)thiane 1,1-dioxide
CID 117165614
3-[(4-chlorophenyl)methyl]triazolo[4,5-b]pyridine
CID 117159368
4-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]thiane 1,1-dioxide
CID 117160904
trimethyl(triazolo[4,5-b]pyridin-3-ylmethyl)azanium hexafluorophosphate
CID 141048536
2-(chloromethyl)-3-(cyclopropylmethyl)imidazo[4,5-b]pyridine
CID 69065688
3-(3-methylcyclobutyl)triazolo[4,5-b]pyridine
CID 168997176

Frequently Asked Questions

What is the IUPAC name of 4-(triazolo[4,5-b]pyridin-3-ylmethyl)thiane 1,1-dioxide?
The IUPAC name of 4-(triazolo[4,5-b]pyridin-3-ylmethyl)thiane 1,1-dioxide (CID 117159296) is 4-(triazolo[4,5-b]pyridin-3-ylmethyl)thiane 1,1-dioxide.
What is the SMILES notation for 4-(triazolo[4,5-b]pyridin-3-ylmethyl)thiane 1,1-dioxide?
The canonical SMILES for 4-(triazolo[4,5-b]pyridin-3-ylmethyl)thiane 1,1-dioxide is O=S1(=O)CCC(Cn2nnc3cccnc32)CC1.
What is the InChIKey of 4-(triazolo[4,5-b]pyridin-3-ylmethyl)thiane 1,1-dioxide?
The InChIKey is QXITXQYKCSIHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c16-18(17)6-3-9(4-7-18)8-15-11-10(13-14-15)2-1-5-12-11/h1-2,5,9H,3-4,6-8H2.
What are the key properties of 4-(triazolo[4,5-b]pyridin-3-ylmethyl)thiane 1,1-dioxide?
4-(triazolo[4,5-b]pyridin-3-ylmethyl)thiane 1,1-dioxide has a molecular weight of 266.33 g/mol, XLogP of 0.65, 2 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-ylmethyl)thiane 1,1-dioxide is sourced from PubChem (CID 117159296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).