(6-isocyanobenzotriazol-1-yl)-trimethylsilane

C10H12N4Si — CID 140846041

IUPAC(6-isocyanobenzotriazol-1-yl)-trimethylsilane
SMILES[C-]#[N+]c1ccc2nnn([Si](C)(C)C)c2c1
InChIInChI=1S/C10H12N4Si/c1-11-8-5-6-9-10(7-8)14(13-12-9)15(2,3)4/h5-7H,2-4H3
InChIKeyLLGUEVQSGTYDBM-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.67
Rot. Bonds1

About (6-isocyanobenzotriazol-1-yl)-trimethylsilane

(6-isocyanobenzotriazol-1-yl)-trimethylsilane (PubChem CID 140846041) has the molecular formula C10H12N4Si and a molecular weight of 216.32 g/mol. Its IUPAC name is (6-isocyanobenzotriazol-1-yl)-trimethylsilane.

Molecular Properties

Compound Name(6-isocyanobenzotriazol-1-yl)-trimethylsilane
PubChem CID140846041
Molecular FormulaC10H12N4Si
Molecular Weight216.32 g/mol
Exact Mass216.08
IUPAC Name(6-isocyanobenzotriazol-1-yl)-trimethylsilane
SMILES[C-]#[N+]c1ccc2nnn([Si](C)(C)C)c2c1
InChIInChI=1S/C10H12N4Si/c1-11-8-5-6-9-10(7-8)14(13-12-9)15(2,3)4/h5-7H,2-4H3
InChIKeyLLGUEVQSGTYDBM-UHFFFAOYSA-N
XLogP2.67
TPSA35.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-isocyano-1-propan-2-ylbenzotriazole
CID 140846011
1-tert-butyl-5-isocyanobenzotriazole
CID 140846004
5-isocyanobenzotriazole-1-carbonitrile
CID 140846048
5-isocyano-1-prop-2-enylbenzotriazole
CID 140845942
1-ethyl-5-isocyanobenzimidazole
CID 140845990
1-benzyl-5-isocyanobenzotriazole
CID 140845977
6-isocyano-1-(methoxymethyl)benzimidazole
CID 140846012
6-isocyano-1-methyl-2-pyridin-4-ylbenzimidazole
CID 123955623
7-isocyano-1-propan-2-ylquinoxalin-2-one
CID 140965802
1-tert-butyl-5-isocyanobenzimidazole
CID 140846005
5-isocyano-1,3-dimethylindazole
CID 58847572
1-cyclopropyl-6-isocyano-2-(6-methylpyridazin-4-yl)benzimidazole
CID 140883856

Frequently Asked Questions

What is the IUPAC name of (6-isocyanobenzotriazol-1-yl)-trimethylsilane?
The IUPAC name of (6-isocyanobenzotriazol-1-yl)-trimethylsilane (CID 140846041) is (6-isocyanobenzotriazol-1-yl)-trimethylsilane.
What is the SMILES notation for (6-isocyanobenzotriazol-1-yl)-trimethylsilane?
The canonical SMILES for (6-isocyanobenzotriazol-1-yl)-trimethylsilane is [C-]#[N+]c1ccc2nnn([Si](C)(C)C)c2c1.
What is the InChIKey of (6-isocyanobenzotriazol-1-yl)-trimethylsilane?
The InChIKey is LLGUEVQSGTYDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4Si/c1-11-8-5-6-9-10(7-8)14(13-12-9)15(2,3)4/h5-7H,2-4H3.
What are the key properties of (6-isocyanobenzotriazol-1-yl)-trimethylsilane?
(6-isocyanobenzotriazol-1-yl)-trimethylsilane has a molecular weight of 216.32 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-isocyanobenzotriazol-1-yl)-trimethylsilane is sourced from PubChem (CID 140846041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).