8-nitro-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine

C10H6N4O2S — CID 82566551

IUPAC8-nitro-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine
SMILESO=[N+]([O-])c1cccn2nc(-c3cccs3)nc12
InChIInChI=1S/C10H6N4O2S/c15-14(16)7-3-1-5-13-10(7)11-9(12-13)8-4-2-6-17-8/h1-6H
InChIKeyCAPKLHFYDCLWTL-UHFFFAOYSA-N
MW246.25 g/mol
LogP2.37
Rot. Bonds2

About 8-nitro-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine

8-nitro-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 82566551) has the molecular formula C10H6N4O2S and a molecular weight of 246.25 g/mol. Its IUPAC name is 8-nitro-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-nitro-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID82566551
Molecular FormulaC10H6N4O2S
Molecular Weight246.25 g/mol
Exact Mass246.02
IUPAC Name8-nitro-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine
SMILESO=[N+]([O-])c1cccn2nc(-c3cccs3)nc12
InChIInChI=1S/C10H6N4O2S/c15-14(16)7-3-1-5-13-10(7)11-9(12-13)8-4-2-6-17-8/h1-6H
InChIKeyCAPKLHFYDCLWTL-UHFFFAOYSA-N
XLogP2.37
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-nitro-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-nitro-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine (CID 82566551) is 8-nitro-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-nitro-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-nitro-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine is O=[N+]([O-])c1cccn2nc(-c3cccs3)nc12.
What is the InChIKey of 8-nitro-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is CAPKLHFYDCLWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4O2S/c15-14(16)7-3-1-5-13-10(7)11-9(12-13)8-4-2-6-17-8/h1-6H.
What are the key properties of 8-nitro-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine?
8-nitro-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 246.25 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-nitro-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 82566551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).