dibutyl-(3-methyltriazol-4-yl)-propylstannane;1-methyltriazole

C17H34N6Sn — CID 165029762

IUPACdibutyl-(3-methyltriazol-4-yl)-propylstannane;1-methyltriazole
SMILESCCCC[Sn](CCC)(CCCC)c1cnnn1C.Cn1ccnn1
InChIInChI=1S/2C4H9.C3H5N3.C3H4N3.C3H7.Sn/c2*1-3-4-2;2*1-6-3-2-4-5-6;1-3-2;/h2*1,3-4H2,2H3;2-3H,1H3;2H,1H3;1,3H2,2H3;
InChIKeyMLPMNAXANYYKLU-UHFFFAOYSA-N
MW441.21 g/mol
LogP3.30
Rot. Bonds9

About dibutyl-(3-methyltriazol-4-yl)-propylstannane;1-methyltriazole

dibutyl-(3-methyltriazol-4-yl)-propylstannane;1-methyltriazole (PubChem CID 165029762) has the molecular formula C17H34N6Sn and a molecular weight of 441.21 g/mol. Its IUPAC name is dibutyl-(3-methyltriazol-4-yl)-propylstannane;1-methyltriazole.

Molecular Properties

Compound Namedibutyl-(3-methyltriazol-4-yl)-propylstannane;1-methyltriazole
PubChem CID165029762
Molecular FormulaC17H34N6Sn
Molecular Weight441.21 g/mol
Exact Mass442.19
IUPAC Namedibutyl-(3-methyltriazol-4-yl)-propylstannane;1-methyltriazole
SMILESCCCC[Sn](CCC)(CCCC)c1cnnn1C.Cn1ccnn1
InChIInChI=1S/2C4H9.C3H5N3.C3H4N3.C3H7.Sn/c2*1-3-4-2;2*1-6-3-2-4-5-6;1-3-2;/h2*1,3-4H2,2H3;2-3H,1H3;2H,1H3;1,3H2,2H3;
InChIKeyMLPMNAXANYYKLU-UHFFFAOYSA-N
XLogP3.30
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.21
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dibutyl-(3-methyltriazol-4-yl)-propylstannane;1-methyltriazole?
The IUPAC name of dibutyl-(3-methyltriazol-4-yl)-propylstannane;1-methyltriazole (CID 165029762) is dibutyl-(3-methyltriazol-4-yl)-propylstannane;1-methyltriazole.
What is the SMILES notation for dibutyl-(3-methyltriazol-4-yl)-propylstannane;1-methyltriazole?
The canonical SMILES for dibutyl-(3-methyltriazol-4-yl)-propylstannane;1-methyltriazole is CCCC[Sn](CCC)(CCCC)c1cnnn1C.Cn1ccnn1.
What is the InChIKey of dibutyl-(3-methyltriazol-4-yl)-propylstannane;1-methyltriazole?
The InChIKey is MLPMNAXANYYKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9.C3H5N3.C3H4N3.C3H7.Sn/c2*1-3-4-2;2*1-6-3-2-4-5-6;1-3-2;/h2*1,3-4H2,2H3;2-3H,1H3;2H,1H3;1,3H2,2H3;.
What are the key properties of dibutyl-(3-methyltriazol-4-yl)-propylstannane;1-methyltriazole?
dibutyl-(3-methyltriazol-4-yl)-propylstannane;1-methyltriazole has a molecular weight of 441.21 g/mol, XLogP of 3.30, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-(3-methyltriazol-4-yl)-propylstannane;1-methyltriazole is sourced from PubChem (CID 165029762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).