trimethoxy-[3-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)propyl]silane

C15H23N3O3Si — CID 142449328

IUPACtrimethoxy-[3-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)propyl]silane
SMILESCO[Si](CCCn1nc(C)nc1-c1ccccc1)(OC)OC
InChIInChI=1S/C15H23N3O3Si/c1-13-16-15(14-9-6-5-7-10-14)18(17-13)11-8-12-22(19-2,20-3)21-4/h5-7,9-10H,8,11-12H2,1-4H3
InChIKeyWNLMYKWTVGDCDR-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.52
Rot. Bonds8

About trimethoxy-[3-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)propyl]silane

trimethoxy-[3-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)propyl]silane (PubChem CID 142449328) has the molecular formula C15H23N3O3Si and a molecular weight of 321.45 g/mol. Its IUPAC name is trimethoxy-[3-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)propyl]silane.

Molecular Properties

Compound Nametrimethoxy-[3-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)propyl]silane
PubChem CID142449328
Molecular FormulaC15H23N3O3Si
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Nametrimethoxy-[3-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)propyl]silane
SMILESCO[Si](CCCn1nc(C)nc1-c1ccccc1)(OC)OC
InChIInChI=1S/C15H23N3O3Si/c1-13-16-15(14-9-6-5-7-10-14)18(17-13)11-8-12-22(19-2,20-3)21-4/h5-7,9-10H,8,11-12H2,1-4H3
InChIKeyWNLMYKWTVGDCDR-UHFFFAOYSA-N
XLogP2.52
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 trimethoxy-[3-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)propyl]silane?
The IUPAC name of trimethoxy-[3-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)propyl]silane (CID 142449328) is trimethoxy-[3-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)propyl]silane.
What is the SMILES notation for trimethoxy-[3-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)propyl]silane?
The canonical SMILES for trimethoxy-[3-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)propyl]silane is CO[Si](CCCn1nc(C)nc1-c1ccccc1)(OC)OC.
What is the InChIKey of trimethoxy-[3-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)propyl]silane?
The InChIKey is WNLMYKWTVGDCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3Si/c1-13-16-15(14-9-6-5-7-10-14)18(17-13)11-8-12-22(19-2,20-3)21-4/h5-7,9-10H,8,11-12H2,1-4H3.
What are the key properties of trimethoxy-[3-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)propyl]silane?
trimethoxy-[3-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)propyl]silane has a molecular weight of 321.45 g/mol, XLogP of 2.52, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[3-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)propyl]silane is sourced from PubChem (CID 142449328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).