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

C10H12N4O2S — CID 117159303

IUPAC3-(triazolo[4,5-b]pyridin-3-yl)thiane 1,1-dioxide
SMILESO=S1(=O)CCCC(n2nnc3cccnc32)C1
InChIInChI=1S/C10H12N4O2S/c15-17(16)6-2-3-8(7-17)14-10-9(12-13-14)4-1-5-11-10/h1,4-5,8H,2-3,6-7H2
InChIKeyORBMYZMUWJQMLO-UHFFFAOYSA-N
MW252.30 g/mol
LogP0.58
Rot. Bonds1

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

3-(triazolo[4,5-b]pyridin-3-yl)thiane 1,1-dioxide (PubChem CID 117159303) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is 3-(triazolo[4,5-b]pyridin-3-yl)thiane 1,1-dioxide.

Molecular Properties

Compound Name3-(triazolo[4,5-b]pyridin-3-yl)thiane 1,1-dioxide
PubChem CID117159303
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC Name3-(triazolo[4,5-b]pyridin-3-yl)thiane 1,1-dioxide
SMILESO=S1(=O)CCCC(n2nnc3cccnc32)C1
InChIInChI=1S/C10H12N4O2S/c15-17(16)6-2-3-8(7-17)14-10-9(12-13-14)4-1-5-11-10/h1,4-5,8H,2-3,6-7H2
InChIKeyORBMYZMUWJQMLO-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

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Related Compounds

4-(triazolo[4,5-b]pyridin-3-yl)thiane 1,1-dioxide
CID 117159283
3-(triazolo[4,5-b]pyridin-3-ylmethyl)thiane 1,1-dioxide
CID 117159337
3-(thian-3-yl)triazolo[4,5-b]pyridine
CID 117159304
3-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]thiane 1,1-dioxide
CID 79294395
4-(triazolo[4,5-b]pyridin-3-ylmethyl)thiane 1,1-dioxide
CID 117159296
3-(3-methylcyclobutyl)triazolo[4,5-b]pyridine
CID 168997176
1-(1,1-dioxothian-3-yl)benzotriazole-5-carboxylic acid
CID 63922366
3-[2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]thiolane 1,1-dioxide
CID 117165589
3-[3-(1,1-dioxothian-3-yl)imidazol-4-yl]pyridin-2-amine
CID 114720389
3-pyridazin-3-ylthiane 1,1-dioxide
CID 117105552
(3S)-3-(5-phenyltetrazol-1-yl)thiolane 1,1-dioxide
CID 7164310
3-(thian-3-ylmethyl)triazolo[4,5-b]pyridine
CID 117159338

Frequently Asked Questions

What is the IUPAC name of 3-(triazolo[4,5-b]pyridin-3-yl)thiane 1,1-dioxide?
The IUPAC name of 3-(triazolo[4,5-b]pyridin-3-yl)thiane 1,1-dioxide (CID 117159303) is 3-(triazolo[4,5-b]pyridin-3-yl)thiane 1,1-dioxide.
What is the SMILES notation for 3-(triazolo[4,5-b]pyridin-3-yl)thiane 1,1-dioxide?
The canonical SMILES for 3-(triazolo[4,5-b]pyridin-3-yl)thiane 1,1-dioxide is O=S1(=O)CCCC(n2nnc3cccnc32)C1.
What is the InChIKey of 3-(triazolo[4,5-b]pyridin-3-yl)thiane 1,1-dioxide?
The InChIKey is ORBMYZMUWJQMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c15-17(16)6-2-3-8(7-17)14-10-9(12-13-14)4-1-5-11-10/h1,4-5,8H,2-3,6-7H2.
What are the key properties of 3-(triazolo[4,5-b]pyridin-3-yl)thiane 1,1-dioxide?
3-(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 3-(triazolo[4,5-b]pyridin-3-yl)thiane 1,1-dioxide is sourced from PubChem (CID 117159303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).