3-phenyl-6-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridine

C16H11N3S — CID 155561688

IUPAC3-phenyl-6-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridine
SMILESc1ccc(-c2nnc3ccc(-c4cccs4)cn23)cc1
InChIInChI=1S/C16H11N3S/c1-2-5-12(6-3-1)16-18-17-15-9-8-13(11-19(15)16)14-7-4-10-20-14/h1-11H
InChIKeyBOKJAXGLHKMNLA-UHFFFAOYSA-N
MW277.35 g/mol
LogP4.12
Rot. Bonds2

About 3-phenyl-6-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridine

3-phenyl-6-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 155561688) has the molecular formula C16H11N3S and a molecular weight of 277.35 g/mol. Its IUPAC name is 3-phenyl-6-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-phenyl-6-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID155561688
Molecular FormulaC16H11N3S
Molecular Weight277.35 g/mol
Exact Mass277.07
IUPAC Name3-phenyl-6-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridine
SMILESc1ccc(-c2nnc3ccc(-c4cccs4)cn23)cc1
InChIInChI=1S/C16H11N3S/c1-2-5-12(6-3-1)16-18-17-15-9-8-13(11-19(15)16)14-7-4-10-20-14/h1-11H
InChIKeyBOKJAXGLHKMNLA-UHFFFAOYSA-N
XLogP4.12
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-6-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-phenyl-6-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridine (CID 155561688) is 3-phenyl-6-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-phenyl-6-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-phenyl-6-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridine is c1ccc(-c2nnc3ccc(-c4cccs4)cn23)cc1.
What is the InChIKey of 3-phenyl-6-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is BOKJAXGLHKMNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3S/c1-2-5-12(6-3-1)16-18-17-15-9-8-13(11-19(15)16)14-7-4-10-20-14/h1-11H.
What are the key properties of 3-phenyl-6-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
3-phenyl-6-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 277.35 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-6-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 155561688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).