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1245816-22-1 molecular structure
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7-(tributylstannyl)-[1,2,4]triazolo[1,5-a]pyridine

ChemBase ID: 65185
Molecular Formular: C18H31N3Sn
Molecular Mass: 408.15984
Monoisotopic Mass: 409.15399201
SMILES and InChIs

SMILES:
c1(ccn2c(c1)ncn2)[Sn](CCCC)(CCCC)CCCC
Canonical SMILES:
CCCC[Sn](c1ccn2c(c1)ncn2)(CCCC)CCCC
InChI:
InChI=1S/C6H4N3.3C4H9.Sn/c1-2-4-9-6(3-1)7-5-8-9;3*1-3-4-2;/h2-5H;3*1,3-4H2,2H3;
InChIKey:
YTEBMQYGRFFXTC-UHFFFAOYSA-N

Cite this record

CBID:65185 http://www.chembase.cn/molecule-65185.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-(tributylstannyl)-[1,2,4]triazolo[1,5-a]pyridine
IUPAC Traditional name
7-(tributylstannyl)-[1,2,4]triazolo[1,5-a]pyridine
Synonyms
7-Tributylstannyl[1,2,4]triazolo[1,5-a]pyridine
CAS Number
1245816-22-1
MDL Number
MFCD17015011
PubChem SID
162030924
PubChem CID
46840013

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 46840013 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.465204  LogD (pH = 7.4) 4.4661875 
Log P 4.4662  Molar Refractivity 102.5837 cm3
Polarizability 39.83606 Å3 Polar Surface Area 30.19 Å2
Rotatable Bonds 10  Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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