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

C11H14N4O2S — CID 117159337

IUPAC3-(triazolo[4,5-b]pyridin-3-ylmethyl)thiane 1,1-dioxide
SMILESO=S1(=O)CCCC(Cn2nnc3cccnc32)C1
InChIInChI=1S/C11H14N4O2S/c16-18(17)6-2-3-9(8-18)7-15-11-10(13-14-15)4-1-5-12-11/h1,4-5,9H,2-3,6-8H2
InChIKeySIZISOFNLTYTBU-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.65
Rot. Bonds2

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

3-(triazolo[4,5-b]pyridin-3-ylmethyl)thiane 1,1-dioxide (PubChem CID 117159337) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 3-(triazolo[4,5-b]pyridin-3-ylmethyl)thiane 1,1-dioxide.

Molecular Properties

Compound Name3-(triazolo[4,5-b]pyridin-3-ylmethyl)thiane 1,1-dioxide
PubChem CID117159337
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name3-(triazolo[4,5-b]pyridin-3-ylmethyl)thiane 1,1-dioxide
SMILESO=S1(=O)CCCC(Cn2nnc3cccnc32)C1
InChIInChI=1S/C11H14N4O2S/c16-18(17)6-2-3-9(8-18)7-15-11-10(13-14-15)4-1-5-12-11/h1,4-5,9H,2-3,6-8H2
InChIKeySIZISOFNLTYTBU-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

4-(triazolo[4,5-b]pyridin-3-ylmethyl)thiane 1,1-dioxide
CID 117159296
3-(triazolo[4,5-b]pyridin-3-yl)thiane 1,1-dioxide
CID 117159303
3-(thian-3-ylmethyl)triazolo[4,5-b]pyridine
CID 117159338
4-(triazolo[4,5-b]pyridin-3-yl)thiane 1,1-dioxide
CID 117159283
triazolo[4,5-b]pyridin-3-ylmethanol
CID 141117967
3-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]thiane 1,1-dioxide
CID 79294395
4-[1-[(1,1-dioxothiolan-3-yl)methyl]tetrazol-5-yl]aniline
CID 62131984
3-pyridazin-3-ylthiane 1,1-dioxide
CID 117105552
2-(benzotriazol-1-yl)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]acetamide
CID 94006761
1-benzyl-N-[(1,1-dioxothian-3-yl)methyl]tetrazol-5-amine
CID 139019384
3-(cyclohexylmethyl)imidazo[4,5-b]pyridin-2-amine
CID 79289426
4-[(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)methyl]thiane 1,1-dioxide
CID 117161703

Frequently Asked Questions

What is the IUPAC name of 3-(triazolo[4,5-b]pyridin-3-ylmethyl)thiane 1,1-dioxide?
The IUPAC name of 3-(triazolo[4,5-b]pyridin-3-ylmethyl)thiane 1,1-dioxide (CID 117159337) is 3-(triazolo[4,5-b]pyridin-3-ylmethyl)thiane 1,1-dioxide.
What is the SMILES notation for 3-(triazolo[4,5-b]pyridin-3-ylmethyl)thiane 1,1-dioxide?
The canonical SMILES for 3-(triazolo[4,5-b]pyridin-3-ylmethyl)thiane 1,1-dioxide is O=S1(=O)CCCC(Cn2nnc3cccnc32)C1.
What is the InChIKey of 3-(triazolo[4,5-b]pyridin-3-ylmethyl)thiane 1,1-dioxide?
The InChIKey is SIZISOFNLTYTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c16-18(17)6-2-3-9(8-18)7-15-11-10(13-14-15)4-1-5-12-11/h1,4-5,9H,2-3,6-8H2.
What are the key properties of 3-(triazolo[4,5-b]pyridin-3-ylmethyl)thiane 1,1-dioxide?
3-(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 3-(triazolo[4,5-b]pyridin-3-ylmethyl)thiane 1,1-dioxide is sourced from PubChem (CID 117159337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).