3-thiophen-3-yl-[1,2,4]triazolo[4,3-a]pyridine

C10H7N3S — CID 102173356

IUPAC3-thiophen-3-yl-[1,2,4]triazolo[4,3-a]pyridine
SMILESc1ccn2c(-c3ccsc3)nnc2c1
InChIInChI=1S/C10H7N3S/c1-2-5-13-9(3-1)11-12-10(13)8-4-6-14-7-8/h1-7H
InChIKeyNSSCXFGKEPWHIZ-UHFFFAOYSA-N
MW201.25 g/mol
LogP2.46
Rot. Bonds1

About 3-thiophen-3-yl-[1,2,4]triazolo[4,3-a]pyridine

3-thiophen-3-yl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 102173356) has the molecular formula C10H7N3S and a molecular weight of 201.25 g/mol. Its IUPAC name is 3-thiophen-3-yl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-thiophen-3-yl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID102173356
Molecular FormulaC10H7N3S
Molecular Weight201.25 g/mol
Exact Mass201.04
IUPAC Name3-thiophen-3-yl-[1,2,4]triazolo[4,3-a]pyridine
SMILESc1ccn2c(-c3ccsc3)nnc2c1
InChIInChI=1S/C10H7N3S/c1-2-5-13-9(3-1)11-12-10(13)8-4-6-14-7-8/h1-7H
InChIKeyNSSCXFGKEPWHIZ-UHFFFAOYSA-N
XLogP2.46
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-thiophen-3-yl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-thiophen-3-yl-[1,2,4]triazolo[4,3-a]pyridine (CID 102173356) is 3-thiophen-3-yl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-thiophen-3-yl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-thiophen-3-yl-[1,2,4]triazolo[4,3-a]pyridine is c1ccn2c(-c3ccsc3)nnc2c1.
What is the InChIKey of 3-thiophen-3-yl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is NSSCXFGKEPWHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3S/c1-2-5-13-9(3-1)11-12-10(13)8-4-6-14-7-8/h1-7H.
What are the key properties of 3-thiophen-3-yl-[1,2,4]triazolo[4,3-a]pyridine?
3-thiophen-3-yl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 201.25 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-3-yl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 102173356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).