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

C11H13N3S — CID 117138870

IUPAC3-(thiolan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESc1ccn2c(CC3CCSC3)nnc2c1
InChIInChI=1S/C11H13N3S/c1-2-5-14-10(3-1)12-13-11(14)7-9-4-6-15-8-9/h1-3,5,9H,4,6-8H2
InChIKeyKZPWQGRKSNTCQH-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.02
Rot. Bonds2

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

3-(thiolan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117138870) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 3-(thiolan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(thiolan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117138870
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name3-(thiolan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESc1ccn2c(CC3CCSC3)nnc2c1
InChIInChI=1S/C11H13N3S/c1-2-5-14-10(3-1)12-13-11(14)7-9-4-6-15-8-9/h1-3,5,9H,4,6-8H2
InChIKeyKZPWQGRKSNTCQH-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
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]pyridine
CID 117139222
N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiolan-3-amine
CID 43181741
7-chloro-3-(thian-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117144305
7-bromo-3-(thian-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117144306
methyl 3-(thiolan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate
CID 117144980
8-chloro-3-(thian-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117146756
3-(thiolan-3-ylmethyl)imidazo[1,5-a]pyridin-8-ol
CID 117146330
3-(thian-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117138801
6-methoxy-3-(thian-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117137940
2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanol
CID 21265826
1-(oxan-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 62385184
1-ethyl-3-(thian-3-yl)-2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]guanidine
CID 111997825

Frequently Asked Questions

What is the IUPAC name of 3-(thiolan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(thiolan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 117138870) is 3-(thiolan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(thiolan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(thiolan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine is c1ccn2c(CC3CCSC3)nnc2c1.
What is the InChIKey of 3-(thiolan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is KZPWQGRKSNTCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-2-5-14-10(3-1)12-13-11(14)7-9-4-6-15-8-9/h1-3,5,9H,4,6-8H2.
What are the key properties of 3-(thiolan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine?
3-(thiolan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 219.31 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiolan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117138870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).