[3-(thiolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine

C11H14N4S — CID 117145724

IUPAC[3-(thiolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine
SMILESNCc1cccn2c(C3CCCS3)nnc12
InChIInChI=1S/C11H14N4S/c12-7-8-3-1-5-15-10(8)13-14-11(15)9-4-2-6-16-9/h1,3,5,9H,2,4,6-7,12H2
InChIKeyFOTQYTZICCRKRB-UHFFFAOYSA-N
MW234.33 g/mol
LogP1.76
Rot. Bonds2

About [3-(thiolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine

[3-(thiolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine (PubChem CID 117145724) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is [3-(thiolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine.

Molecular Properties

Compound Name[3-(thiolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine
PubChem CID117145724
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC Name[3-(thiolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine
SMILESNCc1cccn2c(C3CCCS3)nnc12
InChIInChI=1S/C11H14N4S/c12-7-8-3-1-5-15-10(8)13-14-11(15)9-4-2-6-16-9/h1,3,5,9H,2,4,6-7,12H2
InChIKeyFOTQYTZICCRKRB-UHFFFAOYSA-N
XLogP1.76
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 51.76
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-8-yl]methanamine?
The IUPAC name of [3-(thiolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine (CID 117145724) is [3-(thiolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine.
What is the SMILES notation for [3-(thiolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine?
The canonical SMILES for [3-(thiolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine is NCc1cccn2c(C3CCCS3)nnc12.
What is the InChIKey of [3-(thiolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine?
The InChIKey is FOTQYTZICCRKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c12-7-8-3-1-5-15-10(8)13-14-11(15)9-4-2-6-16-9/h1,3,5,9H,2,4,6-7,12H2.
What are the key properties of [3-(thiolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine?
[3-(thiolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine has a molecular weight of 234.33 g/mol, XLogP of 1.76, 2 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-8-yl]methanamine is sourced from PubChem (CID 117145724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).