methyl 2-(4-tributylstannyltriazol-1-yl)acetate

C17H33N3O2Sn — CID 86711730

IUPACmethyl 2-(4-tributylstannyltriazol-1-yl)acetate
SMILESCCCC[Sn](CCCC)(CCCC)c1cn(CC(=O)OC)nn1
InChIInChI=1S/C5H6N3O2.3C4H9.Sn/c1-10-5(9)4-8-3-2-6-7-8;3*1-3-4-2;/h3H,4H2,1H3;3*1,3-4H2,2H3;
InChIKeyDPXQOPULVMBFPX-UHFFFAOYSA-N
MW430.18 g/mol
LogP3.51
Rot. Bonds12

About methyl 2-(4-tributylstannyltriazol-1-yl)acetate

methyl 2-(4-tributylstannyltriazol-1-yl)acetate (PubChem CID 86711730) has the molecular formula C17H33N3O2Sn and a molecular weight of 430.18 g/mol. Its IUPAC name is methyl 2-(4-tributylstannyltriazol-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-tributylstannyltriazol-1-yl)acetate
PubChem CID86711730
Molecular FormulaC17H33N3O2Sn
Molecular Weight430.18 g/mol
Exact Mass431.16
IUPAC Namemethyl 2-(4-tributylstannyltriazol-1-yl)acetate
SMILESCCCC[Sn](CCCC)(CCCC)c1cn(CC(=O)OC)nn1
InChIInChI=1S/C5H6N3O2.3C4H9.Sn/c1-10-5(9)4-8-3-2-6-7-8;3*1-3-4-2;/h3H,4H2,1H3;3*1,3-4H2,2H3;
InChIKeyDPXQOPULVMBFPX-UHFFFAOYSA-N
XLogP3.51
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.18
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

10-(4-tributylstannyltriazol-1-yl)decanoic acid
CID 67975439
ethane;methyl 2-(4-butyltriazol-1-yl)acetate
CID 164877743
methyl 2-(4-methylsulfanyltriazol-1-yl)acetate
CID 168968931
methyl 2-[4-[(1S)-1-hydroxyethyl]triazol-1-yl]acetate
CID 95721059
1,4-dimethyltriazole;methyl 2-(4-methyltriazol-1-yl)acetate
CID 157331697
methyl 2-[4-(2-methylpropyl)triazol-1-yl]acetate
CID 163656493
methyl 2-[4-[(butan-2-ylamino)methyl]triazol-1-yl]acetate
CID 115895226
methyl 2-[4-[[bis(dimethylamino)methylideneamino]methyl]triazol-1-yl]acetate
CID 119994930
heptyl 2-[4-(aminomethyl)triazol-1-yl]acetate
CID 113313984
methyl 2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetate
CID 115876973
ethyl 2-(4-octyltriazol-1-yl)acetate
CID 71590881
methyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]triazole-4-carboxylate
CID 122241136

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-tributylstannyltriazol-1-yl)acetate?
The IUPAC name of methyl 2-(4-tributylstannyltriazol-1-yl)acetate (CID 86711730) is methyl 2-(4-tributylstannyltriazol-1-yl)acetate.
What is the SMILES notation for methyl 2-(4-tributylstannyltriazol-1-yl)acetate?
The canonical SMILES for methyl 2-(4-tributylstannyltriazol-1-yl)acetate is CCCC[Sn](CCCC)(CCCC)c1cn(CC(=O)OC)nn1.
What is the InChIKey of methyl 2-(4-tributylstannyltriazol-1-yl)acetate?
The InChIKey is DPXQOPULVMBFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N3O2.3C4H9.Sn/c1-10-5(9)4-8-3-2-6-7-8;3*1-3-4-2;/h3H,4H2,1H3;3*1,3-4H2,2H3;.
What are the key properties of methyl 2-(4-tributylstannyltriazol-1-yl)acetate?
methyl 2-(4-tributylstannyltriazol-1-yl)acetate has a molecular weight of 430.18 g/mol, XLogP of 3.51, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-tributylstannyltriazol-1-yl)acetate is sourced from PubChem (CID 86711730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).