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

C13H19N3O2Si — CID 59630466

IUPACdimethoxy-phenyl-[3-(1,2,4-triazol-1-yl)propyl]silane
SMILESCO[Si](CCCn1cncn1)(OC)c1ccccc1
InChIInChI=1S/C13H19N3O2Si/c1-17-19(18-2,13-7-4-3-5-8-13)10-6-9-16-12-14-11-15-16/h3-5,7-8,11-12H,6,9-10H2,1-2H3
InChIKeySKJYFINOHYSVOH-UHFFFAOYSA-N
MW277.40 g/mol
LogP1.31
Rot. Bonds7

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

dimethoxy-phenyl-[3-(1,2,4-triazol-1-yl)propyl]silane (PubChem CID 59630466) has the molecular formula C13H19N3O2Si and a molecular weight of 277.40 g/mol. Its IUPAC name is dimethoxy-phenyl-[3-(1,2,4-triazol-1-yl)propyl]silane.

Molecular Properties

Compound Namedimethoxy-phenyl-[3-(1,2,4-triazol-1-yl)propyl]silane
PubChem CID59630466
Molecular FormulaC13H19N3O2Si
Molecular Weight277.40 g/mol
Exact Mass277.12
IUPAC Namedimethoxy-phenyl-[3-(1,2,4-triazol-1-yl)propyl]silane
SMILESCO[Si](CCCn1cncn1)(OC)c1ccccc1
InChIInChI=1S/C13H19N3O2Si/c1-17-19(18-2,13-7-4-3-5-8-13)10-6-9-16-12-14-11-15-16/h3-5,7-8,11-12H,6,9-10H2,1-2H3
InChIKeySKJYFINOHYSVOH-UHFFFAOYSA-N
XLogP1.31
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 dimethoxy-phenyl-[3-(1,2,4-triazol-1-yl)propyl]silane?
The IUPAC name of dimethoxy-phenyl-[3-(1,2,4-triazol-1-yl)propyl]silane (CID 59630466) is dimethoxy-phenyl-[3-(1,2,4-triazol-1-yl)propyl]silane.
What is the SMILES notation for dimethoxy-phenyl-[3-(1,2,4-triazol-1-yl)propyl]silane?
The canonical SMILES for dimethoxy-phenyl-[3-(1,2,4-triazol-1-yl)propyl]silane is CO[Si](CCCn1cncn1)(OC)c1ccccc1.
What is the InChIKey of dimethoxy-phenyl-[3-(1,2,4-triazol-1-yl)propyl]silane?
The InChIKey is SKJYFINOHYSVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2Si/c1-17-19(18-2,13-7-4-3-5-8-13)10-6-9-16-12-14-11-15-16/h3-5,7-8,11-12H,6,9-10H2,1-2H3.
What are the key properties of dimethoxy-phenyl-[3-(1,2,4-triazol-1-yl)propyl]silane?
dimethoxy-phenyl-[3-(1,2,4-triazol-1-yl)propyl]silane has a molecular weight of 277.40 g/mol, XLogP of 1.31, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy-phenyl-[3-(1,2,4-triazol-1-yl)propyl]silane is sourced from PubChem (CID 59630466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).