tributyl-[5-(1H-indol-3-yl)tetrazol-1-yl]stannane

C21H33N5Sn — CID 135767069

IUPACtributyl-[5-(1H-indol-3-yl)tetrazol-1-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)n1nnnc1-c1c[nH]c2ccccc12
InChIInChI=1S/C9H6N5.3C4H9.Sn/c1-2-4-8-6(3-1)7(5-10-8)9-11-13-14-12-9;3*1-3-4-2;/h1-5,10H;3*1,3-4H2,2H3;/q-1;;;;+1
InChIKeyGLHPKGHCYJIFNW-UHFFFAOYSA-N
MW474.24 g/mol
LogP6.02
Rot. Bonds11

About tributyl-[5-(1H-indol-3-yl)tetrazol-1-yl]stannane

tributyl-[5-(1H-indol-3-yl)tetrazol-1-yl]stannane (PubChem CID 135767069) has the molecular formula C21H33N5Sn and a molecular weight of 474.24 g/mol. Its IUPAC name is tributyl-[5-(1H-indol-3-yl)tetrazol-1-yl]stannane.

Molecular Properties

Compound Nametributyl-[5-(1H-indol-3-yl)tetrazol-1-yl]stannane
PubChem CID135767069
Molecular FormulaC21H33N5Sn
Molecular Weight474.24 g/mol
Exact Mass475.18
IUPAC Nametributyl-[5-(1H-indol-3-yl)tetrazol-1-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)n1nnnc1-c1c[nH]c2ccccc12
InChIInChI=1S/C9H6N5.3C4H9.Sn/c1-2-4-8-6(3-1)7(5-10-8)9-11-13-14-12-9;3*1-3-4-2;/h1-5,10H;3*1,3-4H2,2H3;/q-1;;;;+1
InChIKeyGLHPKGHCYJIFNW-UHFFFAOYSA-N
XLogP6.02
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.24
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 6736
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CID 1150
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CID 6089
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CID 5078
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CID 3071
CID 3071
CID 6890
CID 6890
CID 9287
CID 9287
CID 6088
CID 6088
CID 8367
CID 8367
CID 6090
CID 6090
CID 472107
CID 472107
CID 3985862
CID 3985862

Frequently Asked Questions

What is the IUPAC name of tributyl-[5-(1H-indol-3-yl)tetrazol-1-yl]stannane?
The IUPAC name of tributyl-[5-(1H-indol-3-yl)tetrazol-1-yl]stannane (CID 135767069) is tributyl-[5-(1H-indol-3-yl)tetrazol-1-yl]stannane.
What is the SMILES notation for tributyl-[5-(1H-indol-3-yl)tetrazol-1-yl]stannane?
The canonical SMILES for tributyl-[5-(1H-indol-3-yl)tetrazol-1-yl]stannane is CCCC[Sn](CCCC)(CCCC)n1nnnc1-c1c[nH]c2ccccc12.
What is the InChIKey of tributyl-[5-(1H-indol-3-yl)tetrazol-1-yl]stannane?
The InChIKey is GLHPKGHCYJIFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N5.3C4H9.Sn/c1-2-4-8-6(3-1)7(5-10-8)9-11-13-14-12-9;3*1-3-4-2;/h1-5,10H;3*1,3-4H2,2H3;/q-1;;;;+1.
What are the key properties of tributyl-[5-(1H-indol-3-yl)tetrazol-1-yl]stannane?
tributyl-[5-(1H-indol-3-yl)tetrazol-1-yl]stannane has a molecular weight of 474.24 g/mol, XLogP of 6.02, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[5-(1H-indol-3-yl)tetrazol-1-yl]stannane is sourced from PubChem (CID 135767069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).