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6-Tributylstannyl[1,2,4]triazolo[1,5-a]pyridine

PubChem CID
46840026
Structure
6-Tributylstannyl[1,2,4]triazolo[1,5-a]pyridine_small.png
Molecular Formula
Synonyms
  • 6-Tributylstannyl[1,2,4]triazolo[1,5-a]pyridine
  • 1204580-82-4
  • 5-a]pyridine
  • tributyl([1,2,4]triazolo[1,5-a]pyridin-6-yl)stannane
  • 6-(Tributylstannyl)[1,2,4]triazolo[1,5-a]pyridine
Molecular Weight
408.2 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Dates
  • Create:
    2010-08-12
  • Modify:
    2025-01-11

1 Structures

1.1 2D Structure

Chemical Structure Depiction
6-Tributylstannyl[1,2,4]triazolo[1,5-a]pyridine.png

1.2 3D Status

Conformer generation is disallowed since MMFF94s unsupported element

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

tributyl([1,2,4]triazolo[1,5-a]pyridin-6-yl)stannane
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)

2.1.2 InChI

InChI=1S/C6H4N3.3C4H9.Sn/c1-2-4-9-6(3-1)7-5-8-9;3*1-3-4-2;/h1,3-5H;3*1,3-4H2,2H3;
Computed by InChI 1.07.0 (PubChem release 2024.11.20)

2.1.3 InChIKey

LENLQGBLVGGAMF-UHFFFAOYSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)

2.1.4 SMILES

CCCC[Sn](CCCC)(CCCC)C1=CN2C(=NC=N2)C=C1
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)

2.2 Molecular Formula

C18H31N3Sn
Computed by PubChem 2.2 (PubChem release 2024.11.20)

2.3 Other Identifiers

2.3.1 CAS

2.3.2 DSSTox Substance ID

2.3.3 Wikidata

2.4 Synonyms

2.4.1 Depositor-Supplied Synonyms

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
408.2 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
10
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
409.154001 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
409.154001 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
30.2 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
22
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
289
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)

5 Chemical Vendors

6 Patents

6.1 Depositor-Supplied Patent Identifiers

7 Information Sources

  1. CAS Common Chemistry
    LICENSE
    The data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.
    https://creativecommons.org/licenses/by-nc/4.0/
    6-(Tributylstannyl)[1,2,4]triazolo[1,5-a]pyridine
    https://commonchemistry.cas.org/detail?cas_rn=1204580-82-4
  2. EPA DSSTox
    6-(Tributylstannyl)[1,2,4]triazolo[1,5-a]pyridine
    https://comptox.epa.gov/dashboard/DTXSID00676724
  3. Wikidata
    6-(Tributylstannyl)[1,2,4]triazolo[1,5-a]pyridine
    https://www.wikidata.org/wiki/Q82599690
  4. PubChem
  5. NCBI
CONTENTS