3-(thian-3-ylmethyl)triazolo[4,5-b]pyridine

C11H14N4S — CID 117159338

IUPAC3-(thian-3-ylmethyl)triazolo[4,5-b]pyridine
SMILESc1cnc2c(c1)nnn2CC1CCCSC1
InChIInChI=1S/C11H14N4S/c1-4-10-11(12-5-1)15(14-13-10)7-9-3-2-6-16-8-9/h1,4-5,9H,2-3,6-8H2
InChIKeyWEGXWUOGWUDEAY-UHFFFAOYSA-N
MW234.33 g/mol
LogP1.97
Rot. Bonds2

About 3-(thian-3-ylmethyl)triazolo[4,5-b]pyridine

3-(thian-3-ylmethyl)triazolo[4,5-b]pyridine (PubChem CID 117159338) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is 3-(thian-3-ylmethyl)triazolo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(thian-3-ylmethyl)triazolo[4,5-b]pyridine
PubChem CID117159338
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC Name3-(thian-3-ylmethyl)triazolo[4,5-b]pyridine
SMILESc1cnc2c(c1)nnn2CC1CCCSC1
InChIInChI=1S/C11H14N4S/c1-4-10-11(12-5-1)15(14-13-10)7-9-3-2-6-16-8-9/h1,4-5,9H,2-3,6-8H2
InChIKeyWEGXWUOGWUDEAY-UHFFFAOYSA-N
XLogP1.97
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(thian-3-yl)triazolo[4,5-b]pyridine
CID 117159304
3-(triazolo[4,5-b]pyridin-3-ylmethyl)thiane 1,1-dioxide
CID 117159337
4-(triazolo[4,5-b]pyridin-3-ylmethyl)thiane 1,1-dioxide
CID 117159296
2-pyrrolidin-2-yl-3-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117162436
2-(oxan-2-yl)-3-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117162932
3-cyclopropyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164087
2-(1-methylpyrrolidin-2-yl)-3-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117162437
3-cyclopentyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164099
2-[3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
CID 107297120
3-cyclohexyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164104
3-(oxolan-3-yl)-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163882
triazolo[4,5-b]pyridin-3-ylmethanol
CID 141117967

Frequently Asked Questions

What is the IUPAC name of 3-(thian-3-ylmethyl)triazolo[4,5-b]pyridine?
The IUPAC name of 3-(thian-3-ylmethyl)triazolo[4,5-b]pyridine (CID 117159338) is 3-(thian-3-ylmethyl)triazolo[4,5-b]pyridine.
What is the SMILES notation for 3-(thian-3-ylmethyl)triazolo[4,5-b]pyridine?
The canonical SMILES for 3-(thian-3-ylmethyl)triazolo[4,5-b]pyridine is c1cnc2c(c1)nnn2CC1CCCSC1.
What is the InChIKey of 3-(thian-3-ylmethyl)triazolo[4,5-b]pyridine?
The InChIKey is WEGXWUOGWUDEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c1-4-10-11(12-5-1)15(14-13-10)7-9-3-2-6-16-8-9/h1,4-5,9H,2-3,6-8H2.
What are the key properties of 3-(thian-3-ylmethyl)triazolo[4,5-b]pyridine?
3-(thian-3-ylmethyl)triazolo[4,5-b]pyridine has a molecular weight of 234.33 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thian-3-ylmethyl)triazolo[4,5-b]pyridine is sourced from PubChem (CID 117159338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).