2-(thian-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine

C12H16N4S — CID 117136208

IUPAC2-(thian-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESNc1cccn2nc(CC3CCSCC3)nc12
InChIInChI=1S/C12H16N4S/c13-10-2-1-5-16-12(10)14-11(15-16)8-9-3-6-17-7-4-9/h1-2,5,9H,3-4,6-8,13H2
InChIKeyWLTJEPLJQZOUCS-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.00
Rot. Bonds2

About 2-(thian-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine

2-(thian-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine (PubChem CID 117136208) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-(thian-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine.

Molecular Properties

Compound Name2-(thian-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine
PubChem CID117136208
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name2-(thian-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESNc1cccn2nc(CC3CCSCC3)nc12
InChIInChI=1S/C12H16N4S/c13-10-2-1-5-16-12(10)14-11(15-16)8-9-3-6-17-7-4-9/h1-2,5,9H,3-4,6-8,13H2
InChIKeyWLTJEPLJQZOUCS-UHFFFAOYSA-N
XLogP2.00
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-methoxy-2-(thian-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117136147
2-(thiolan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 117136724
2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 117136994
2-(aminomethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 82566665
2-[(1-ethylpiperidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 117136884
8-methyl-2-(thian-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117136981
2-(methylsulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 117258051
2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 53190755
2-(3-methoxypropyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 117135717
8-chloro-2-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117136192
2-(methylsulfonylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 117258010
2-[(2-methylsulfanylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 82566706

Frequently Asked Questions

What is the IUPAC name of 2-(thian-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The IUPAC name of 2-(thian-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine (CID 117136208) is 2-(thian-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine.
What is the SMILES notation for 2-(thian-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The canonical SMILES for 2-(thian-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine is Nc1cccn2nc(CC3CCSCC3)nc12.
What is the InChIKey of 2-(thian-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The InChIKey is WLTJEPLJQZOUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c13-10-2-1-5-16-12(10)14-11(15-16)8-9-3-6-17-7-4-9/h1-2,5,9H,3-4,6-8,13H2.
What are the key properties of 2-(thian-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
2-(thian-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine has a molecular weight of 248.35 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thian-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine is sourced from PubChem (CID 117136208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).