trimethyl-[4-(4-methyl-1,2,4-triazolidin-1-yl)phenyl]silane

C12H21N3Si — CID 159403742

IUPACtrimethyl-[4-(4-methyl-1,2,4-triazolidin-1-yl)phenyl]silane
SMILESCN1CNN(c2ccc([Si](C)(C)C)cc2)C1
InChIInChI=1S/C12H21N3Si/c1-14-9-13-15(10-14)11-5-7-12(8-6-11)16(2,3)4/h5-8,13H,9-10H2,1-4H3
InChIKeyNLGPMUKDWWPEHH-UHFFFAOYSA-N
MW235.41 g/mol
LogP1.40
Rot. Bonds2

About trimethyl-[4-(4-methyl-1,2,4-triazolidin-1-yl)phenyl]silane

trimethyl-[4-(4-methyl-1,2,4-triazolidin-1-yl)phenyl]silane (PubChem CID 159403742) has the molecular formula C12H21N3Si and a molecular weight of 235.41 g/mol. Its IUPAC name is trimethyl-[4-(4-methyl-1,2,4-triazolidin-1-yl)phenyl]silane.

Molecular Properties

Compound Nametrimethyl-[4-(4-methyl-1,2,4-triazolidin-1-yl)phenyl]silane
PubChem CID159403742
Molecular FormulaC12H21N3Si
Molecular Weight235.41 g/mol
Exact Mass235.15
IUPAC Nametrimethyl-[4-(4-methyl-1,2,4-triazolidin-1-yl)phenyl]silane
SMILESCN1CNN(c2ccc([Si](C)(C)C)cc2)C1
InChIInChI=1S/C12H21N3Si/c1-14-9-13-15(10-14)11-5-7-12(8-6-11)16(2,3)4/h5-8,13H,9-10H2,1-4H3
InChIKeyNLGPMUKDWWPEHH-UHFFFAOYSA-N
XLogP1.40
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 trimethyl-[4-(4-methyl-1,2,4-triazolidin-1-yl)phenyl]silane?
The IUPAC name of trimethyl-[4-(4-methyl-1,2,4-triazolidin-1-yl)phenyl]silane (CID 159403742) is trimethyl-[4-(4-methyl-1,2,4-triazolidin-1-yl)phenyl]silane.
What is the SMILES notation for trimethyl-[4-(4-methyl-1,2,4-triazolidin-1-yl)phenyl]silane?
The canonical SMILES for trimethyl-[4-(4-methyl-1,2,4-triazolidin-1-yl)phenyl]silane is CN1CNN(c2ccc([Si](C)(C)C)cc2)C1.
What is the InChIKey of trimethyl-[4-(4-methyl-1,2,4-triazolidin-1-yl)phenyl]silane?
The InChIKey is NLGPMUKDWWPEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3Si/c1-14-9-13-15(10-14)11-5-7-12(8-6-11)16(2,3)4/h5-8,13H,9-10H2,1-4H3.
What are the key properties of trimethyl-[4-(4-methyl-1,2,4-triazolidin-1-yl)phenyl]silane?
trimethyl-[4-(4-methyl-1,2,4-triazolidin-1-yl)phenyl]silane has a molecular weight of 235.41 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-(4-methyl-1,2,4-triazolidin-1-yl)phenyl]silane is sourced from PubChem (CID 159403742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).