3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridine

C14H11N5S — CID 2998786

IUPAC3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESc1ccn2cc(CSc3nnc4ccccn34)nc2c1
InChIInChI=1S/C14H11N5S/c1-3-7-18-9-11(15-12(18)5-1)10-20-14-17-16-13-6-2-4-8-19(13)14/h1-9H,10H2
InChIKeyHFJGPBPOOBVBBJ-UHFFFAOYSA-N
MW281.34 g/mol
LogP2.67
Rot. Bonds3

About 3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridine

3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 2998786) has the molecular formula C14H11N5S and a molecular weight of 281.34 g/mol. Its IUPAC name is 3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID2998786
Molecular FormulaC14H11N5S
Molecular Weight281.34 g/mol
Exact Mass281.07
IUPAC Name3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESc1ccn2cc(CSc3nnc4ccccn34)nc2c1
InChIInChI=1S/C14H11N5S/c1-3-7-18-9-11(15-12(18)5-1)10-20-14-17-16-13-6-2-4-8-19(13)14/h1-9H,10H2
InChIKeyHFJGPBPOOBVBBJ-UHFFFAOYSA-N
XLogP2.67
TPSA47.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 2998786) is 3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridine is c1ccn2cc(CSc3nnc4ccccn34)nc2c1.
What is the InChIKey of 3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is HFJGPBPOOBVBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5S/c1-3-7-18-9-11(15-12(18)5-1)10-20-14-17-16-13-6-2-4-8-19(13)14/h1-9H,10H2.
What are the key properties of 3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridine?
3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 281.34 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 2998786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).