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

C14H21N3O3Si — CID 142449323

IUPACtrimethoxy-[3-(3-phenyl-1,2,4-triazol-1-yl)propyl]silane
SMILESCO[Si](CCCn1cnc(-c2ccccc2)n1)(OC)OC
InChIInChI=1S/C14H21N3O3Si/c1-18-21(19-2,20-3)11-7-10-17-12-15-14(16-17)13-8-5-4-6-9-13/h4-6,8-9,12H,7,10-11H2,1-3H3
InChIKeySJQHWZYHIMABAX-UHFFFAOYSA-N
MW307.43 g/mol
LogP2.21
Rot. Bonds8

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

trimethoxy-[3-(3-phenyl-1,2,4-triazol-1-yl)propyl]silane (PubChem CID 142449323) has the molecular formula C14H21N3O3Si and a molecular weight of 307.43 g/mol. Its IUPAC name is trimethoxy-[3-(3-phenyl-1,2,4-triazol-1-yl)propyl]silane.

Molecular Properties

Compound Nametrimethoxy-[3-(3-phenyl-1,2,4-triazol-1-yl)propyl]silane
PubChem CID142449323
Molecular FormulaC14H21N3O3Si
Molecular Weight307.43 g/mol
Exact Mass307.14
IUPAC Nametrimethoxy-[3-(3-phenyl-1,2,4-triazol-1-yl)propyl]silane
SMILESCO[Si](CCCn1cnc(-c2ccccc2)n1)(OC)OC
InChIInChI=1S/C14H21N3O3Si/c1-18-21(19-2,20-3)11-7-10-17-12-15-14(16-17)13-8-5-4-6-9-13/h4-6,8-9,12H,7,10-11H2,1-3H3
InChIKeySJQHWZYHIMABAX-UHFFFAOYSA-N
XLogP2.21
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 52.21
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-phenyl-1,2,4-triazol-1-yl)propyl]silane?
The IUPAC name of trimethoxy-[3-(3-phenyl-1,2,4-triazol-1-yl)propyl]silane (CID 142449323) is trimethoxy-[3-(3-phenyl-1,2,4-triazol-1-yl)propyl]silane.
What is the SMILES notation for trimethoxy-[3-(3-phenyl-1,2,4-triazol-1-yl)propyl]silane?
The canonical SMILES for trimethoxy-[3-(3-phenyl-1,2,4-triazol-1-yl)propyl]silane is CO[Si](CCCn1cnc(-c2ccccc2)n1)(OC)OC.
What is the InChIKey of trimethoxy-[3-(3-phenyl-1,2,4-triazol-1-yl)propyl]silane?
The InChIKey is SJQHWZYHIMABAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3Si/c1-18-21(19-2,20-3)11-7-10-17-12-15-14(16-17)13-8-5-4-6-9-13/h4-6,8-9,12H,7,10-11H2,1-3H3.
What are the key properties of trimethoxy-[3-(3-phenyl-1,2,4-triazol-1-yl)propyl]silane?
trimethoxy-[3-(3-phenyl-1,2,4-triazol-1-yl)propyl]silane has a molecular weight of 307.43 g/mol, XLogP of 2.21, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[3-(3-phenyl-1,2,4-triazol-1-yl)propyl]silane is sourced from PubChem (CID 142449323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).