N-[2-(3-triethoxysilylpropyl)tetrazol-5-yl]acetamide

C12H25N5O4Si — CID 142548030

IUPACN-[2-(3-triethoxysilylpropyl)tetrazol-5-yl]acetamide
SMILESCCO[Si](CCCn1nnc(NC(C)=O)n1)(OCC)OCC
InChIInChI=1S/C12H25N5O4Si/c1-5-19-22(20-6-2,21-7-3)10-8-9-17-15-12(14-16-17)13-11(4)18/h5-10H2,1-4H3,(H,13,15,18)
InChIKeyQRKUPSFHPFBSLF-UHFFFAOYSA-N
MW331.45 g/mol
LogP1.07
Rot. Bonds11

About N-[2-(3-triethoxysilylpropyl)tetrazol-5-yl]acetamide

N-[2-(3-triethoxysilylpropyl)tetrazol-5-yl]acetamide (PubChem CID 142548030) has the molecular formula C12H25N5O4Si and a molecular weight of 331.45 g/mol. Its IUPAC name is N-[2-(3-triethoxysilylpropyl)tetrazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3-triethoxysilylpropyl)tetrazol-5-yl]acetamide
PubChem CID142548030
Molecular FormulaC12H25N5O4Si
Molecular Weight331.45 g/mol
Exact Mass331.17
IUPAC NameN-[2-(3-triethoxysilylpropyl)tetrazol-5-yl]acetamide
SMILESCCO[Si](CCCn1nnc(NC(C)=O)n1)(OCC)OCC
InChIInChI=1S/C12H25N5O4Si/c1-5-19-22(20-6-2,21-7-3)10-8-9-17-15-12(14-16-17)13-11(4)18/h5-10H2,1-4H3,(H,13,15,18)
InChIKeyQRKUPSFHPFBSLF-UHFFFAOYSA-N
XLogP1.07
TPSA100.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.45
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-triethoxysilylpropyl)tetrazol-5-yl]acetamide?
The IUPAC name of N-[2-(3-triethoxysilylpropyl)tetrazol-5-yl]acetamide (CID 142548030) is N-[2-(3-triethoxysilylpropyl)tetrazol-5-yl]acetamide.
What is the SMILES notation for N-[2-(3-triethoxysilylpropyl)tetrazol-5-yl]acetamide?
The canonical SMILES for N-[2-(3-triethoxysilylpropyl)tetrazol-5-yl]acetamide is CCO[Si](CCCn1nnc(NC(C)=O)n1)(OCC)OCC.
What is the InChIKey of N-[2-(3-triethoxysilylpropyl)tetrazol-5-yl]acetamide?
The InChIKey is QRKUPSFHPFBSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N5O4Si/c1-5-19-22(20-6-2,21-7-3)10-8-9-17-15-12(14-16-17)13-11(4)18/h5-10H2,1-4H3,(H,13,15,18).
What are the key properties of N-[2-(3-triethoxysilylpropyl)tetrazol-5-yl]acetamide?
N-[2-(3-triethoxysilylpropyl)tetrazol-5-yl]acetamide has a molecular weight of 331.45 g/mol, XLogP of 1.07, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-triethoxysilylpropyl)tetrazol-5-yl]acetamide is sourced from PubChem (CID 142548030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).