3-(thiolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine

C10H12N4S — CID 117141546

IUPAC3-(thiolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine
SMILESNc1cccc2nnc(C3CCCS3)n12
InChIInChI=1S/C10H12N4S/c11-8-4-1-5-9-12-13-10(14(8)9)7-3-2-6-15-7/h1,4-5,7H,2-3,6,11H2
InChIKeyQDEUTJSZQNLZHN-UHFFFAOYSA-N
MW220.30 g/mol
LogP1.88
Rot. Bonds1

About 3-(thiolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine

3-(thiolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine (PubChem CID 117141546) has the molecular formula C10H12N4S and a molecular weight of 220.30 g/mol. Its IUPAC name is 3-(thiolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine.

Molecular Properties

Compound Name3-(thiolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine
PubChem CID117141546
Molecular FormulaC10H12N4S
Molecular Weight220.30 g/mol
Exact Mass220.08
IUPAC Name3-(thiolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine
SMILESNc1cccc2nnc(C3CCCS3)n12
InChIInChI=1S/C10H12N4S/c11-8-4-1-5-9-12-13-10(14(8)9)7-3-2-6-15-7/h1,4-5,7H,2-3,6,11H2
InChIKeyQDEUTJSZQNLZHN-UHFFFAOYSA-N
XLogP1.88
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(thiolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The IUPAC name of 3-(thiolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine (CID 117141546) is 3-(thiolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine.
What is the SMILES notation for 3-(thiolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The canonical SMILES for 3-(thiolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine is Nc1cccc2nnc(C3CCCS3)n12.
What is the InChIKey of 3-(thiolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The InChIKey is QDEUTJSZQNLZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S/c11-8-4-1-5-9-12-13-10(14(8)9)7-3-2-6-15-7/h1,4-5,7H,2-3,6,11H2.
What are the key properties of 3-(thiolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
3-(thiolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine has a molecular weight of 220.30 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine is sourced from PubChem (CID 117141546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).