3-(thiolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine

C11H13N3S — CID 117139222

IUPAC3-(thiolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESc1ccn2c(CC3CCCS3)nnc2c1
InChIInChI=1S/C11H13N3S/c1-2-6-14-10(5-1)12-13-11(14)8-9-4-3-7-15-9/h1-2,5-6,9H,3-4,7-8H2
InChIKeyQKXMCYJLOPPMHP-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.17
Rot. Bonds2

About 3-(thiolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine

3-(thiolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117139222) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 3-(thiolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(thiolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117139222
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name3-(thiolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESc1ccn2c(CC3CCCS3)nnc2c1
InChIInChI=1S/C11H13N3S/c1-2-6-14-10(5-1)12-13-11(14)8-9-4-3-7-15-9/h1-2,5-6,9H,3-4,7-8H2
InChIKeyQKXMCYJLOPPMHP-UHFFFAOYSA-N
XLogP2.17
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(thiolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 117138281
8-chloro-3-(thian-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117146698
3-(thiolan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117138870
N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiolan-3-amine
CID 43181741
2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanol
CID 21265826
3-(thian-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117138801
2-[(thiolan-2-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 80585367
3-prop-2-enyl-[1,2,4]triazolo[4,3-a]pyridine
CID 68903381
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466013
1-(3,4-dihydro-2H-thiochromen-4-yl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
CID 71941343
5-chloro-3-(thiolan-2-ylmethyl)imidazo[1,5-a]pyridine
CID 117141673
2-cyclohexyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 39761250

Frequently Asked Questions

What is the IUPAC name of 3-(thiolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(thiolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 117139222) is 3-(thiolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(thiolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(thiolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine is c1ccn2c(CC3CCCS3)nnc2c1.
What is the InChIKey of 3-(thiolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is QKXMCYJLOPPMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-2-6-14-10(5-1)12-13-11(14)8-9-4-3-7-15-9/h1-2,5-6,9H,3-4,7-8H2.
What are the key properties of 3-(thiolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine?
3-(thiolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 219.31 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117139222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).