tributyl-(2-methyl-1,2,4-triazol-3-yl)stannane

C15H31N3Sn — CID 2763253

IUPACtributyl-(2-methyl-1,2,4-triazol-3-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1ncnn1C
InChIInChI=1S/3C4H9.C3H4N3.Sn/c3*1-3-4-2;1-6-3-4-2-5-6;/h3*1,3-4H2,2H3;2H,1H3;
InChIKeyKZBBXMWBVDNMND-UHFFFAOYSA-N
MW372.15 g/mol
LogP3.87
Rot. Bonds10

About tributyl-(2-methyl-1,2,4-triazol-3-yl)stannane

tributyl-(2-methyl-1,2,4-triazol-3-yl)stannane (PubChem CID 2763253) has the molecular formula C15H31N3Sn and a molecular weight of 372.15 g/mol. Its IUPAC name is tributyl-(2-methyl-1,2,4-triazol-3-yl)stannane.

Molecular Properties

Compound Nametributyl-(2-methyl-1,2,4-triazol-3-yl)stannane
PubChem CID2763253
Molecular FormulaC15H31N3Sn
Molecular Weight372.15 g/mol
Exact Mass373.15
IUPAC Nametributyl-(2-methyl-1,2,4-triazol-3-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1ncnn1C
InChIInChI=1S/3C4H9.C3H4N3.Sn/c3*1-3-4-2;1-6-3-4-2-5-6;/h3*1,3-4H2,2H3;2H,1H3;
InChIKeyKZBBXMWBVDNMND-UHFFFAOYSA-N
XLogP3.87
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.15
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tributyl-(2-methyl-1,2,4-triazol-3-yl)stannane?
The IUPAC name of tributyl-(2-methyl-1,2,4-triazol-3-yl)stannane (CID 2763253) is tributyl-(2-methyl-1,2,4-triazol-3-yl)stannane.
What is the SMILES notation for tributyl-(2-methyl-1,2,4-triazol-3-yl)stannane?
The canonical SMILES for tributyl-(2-methyl-1,2,4-triazol-3-yl)stannane is CCCC[Sn](CCCC)(CCCC)c1ncnn1C.
What is the InChIKey of tributyl-(2-methyl-1,2,4-triazol-3-yl)stannane?
The InChIKey is KZBBXMWBVDNMND-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H9.C3H4N3.Sn/c3*1-3-4-2;1-6-3-4-2-5-6;/h3*1,3-4H2,2H3;2H,1H3;.
What are the key properties of tributyl-(2-methyl-1,2,4-triazol-3-yl)stannane?
tributyl-(2-methyl-1,2,4-triazol-3-yl)stannane has a molecular weight of 372.15 g/mol, XLogP of 3.87, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(2-methyl-1,2,4-triazol-3-yl)stannane is sourced from PubChem (CID 2763253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).