[3-(thiolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine

C12H16N4S — CID 117138281

IUPAC[3-(thiolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
SMILESNCc1ccc2nnc(CC3CCCS3)n2c1
InChIInChI=1S/C12H16N4S/c13-7-9-3-4-11-14-15-12(16(11)8-9)6-10-2-1-5-17-10/h3-4,8,10H,1-2,5-7,13H2
InChIKeyGIRHRZPJXYNECT-UHFFFAOYSA-N
MW248.35 g/mol
LogP1.63
Rot. Bonds3

About [3-(thiolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine

[3-(thiolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine (PubChem CID 117138281) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is [3-(thiolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine.

Molecular Properties

Compound Name[3-(thiolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
PubChem CID117138281
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name[3-(thiolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
SMILESNCc1ccc2nnc(CC3CCCS3)n2c1
InChIInChI=1S/C12H16N4S/c13-7-9-3-4-11-14-15-12(16(11)8-9)6-10-2-1-5-17-10/h3-4,8,10H,1-2,5-7,13H2
InChIKeyGIRHRZPJXYNECT-UHFFFAOYSA-N
XLogP1.63
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(thiolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117139222
[3-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 117138284
[3-[(1-propan-2-ylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 117138303
[3-(thian-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 117138239
(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine
CID 83866625
8-chloro-3-(thian-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117146698
8-methoxy-3-(thiolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117145458
3-(thiolan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117148599
[3-(thiolan-2-ylmethyl)imidazo[1,5-a]pyridin-5-yl]methanamine
CID 117140785
(3-butan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine
CID 82506769
2-(thiolan-2-ylmethyl)imidazo[1,2-a]pyridine-6-carbaldehyde
CID 117129769
6-methoxy-3-(thian-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117137940

Frequently Asked Questions

What is the IUPAC name of [3-(thiolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine?
The IUPAC name of [3-(thiolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine (CID 117138281) is [3-(thiolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine.
What is the SMILES notation for [3-(thiolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine?
The canonical SMILES for [3-(thiolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine is NCc1ccc2nnc(CC3CCCS3)n2c1.
What is the InChIKey of [3-(thiolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine?
The InChIKey is GIRHRZPJXYNECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c13-7-9-3-4-11-14-15-12(16(11)8-9)6-10-2-1-5-17-10/h3-4,8,10H,1-2,5-7,13H2.
What are the key properties of [3-(thiolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine?
[3-(thiolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine has a molecular weight of 248.35 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(thiolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine is sourced from PubChem (CID 117138281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).