(1-tert-butyltriazol-4-yl)-trimethylsilane

C9H19N3Si — CID 15802956

IUPAC(1-tert-butyltriazol-4-yl)-trimethylsilane
SMILESCC(C)(C)n1cc([Si](C)(C)C)nn1
InChIInChI=1S/C9H19N3Si/c1-9(2,3)12-7-8(10-11-12)13(4,5)6/h7H,1-6H3
InChIKeyMABLMPNMYDLINC-UHFFFAOYSA-N
MW197.36 g/mol
LogP1.58
Rot. Bonds1

About (1-tert-butyltriazol-4-yl)-trimethylsilane

(1-tert-butyltriazol-4-yl)-trimethylsilane (PubChem CID 15802956) has the molecular formula C9H19N3Si and a molecular weight of 197.36 g/mol. Its IUPAC name is (1-tert-butyltriazol-4-yl)-trimethylsilane.

Molecular Properties

Compound Name(1-tert-butyltriazol-4-yl)-trimethylsilane
PubChem CID15802956
Molecular FormulaC9H19N3Si
Molecular Weight197.36 g/mol
Exact Mass197.13
IUPAC Name(1-tert-butyltriazol-4-yl)-trimethylsilane
SMILESCC(C)(C)n1cc([Si](C)(C)C)nn1
InChIInChI=1S/C9H19N3Si/c1-9(2,3)12-7-8(10-11-12)13(4,5)6/h7H,1-6H3
InChIKeyMABLMPNMYDLINC-UHFFFAOYSA-N
XLogP1.58
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.36
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1-tert-butyltriazol-4-yl)-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(1,4-ditert-butyltriazole);methane
CID 158842263
trimethyl-(1-propan-2-yltriazol-4-yl)silane
CID 140904244
2-methyl-N-[2-(4-trimethylsilyltriazol-1-yl)ethyl]propan-2-amine
CID 142712021
1-tert-butyl-4-(2-methylpentan-2-yl)triazole
CID 123716234
N-[(1-tert-butyltriazol-4-yl)methyl]-2-methylpropan-2-amine
CID 103398443
N-[(1-tert-butyltriazol-4-yl)methyl]hydroxylamine
CID 103399314
4-(1-tert-butyltriazol-4-yl)benzoic acid
CID 149429914
ethyl 1-tert-butyltriazole-4-carboxylate
CID 13399237
N-[(1-tert-butyltriazol-4-yl)methyl]-1-pyridin-2-ylmethanamine
CID 103398556
1-tert-butyl-4-(3-methylheptan-3-yl)triazole
CID 139427991
2,5-ditert-butyltetrazole;bis(1,4-ditert-butyltriazole)
CID 158597391
[1-[3,4-dichloro-5-(trifluoromethyl)phenyl]triazol-4-yl]-trimethylsilane
CID 159516371

Frequently Asked Questions

What is the IUPAC name of (1-tert-butyltriazol-4-yl)-trimethylsilane?
The IUPAC name of (1-tert-butyltriazol-4-yl)-trimethylsilane (CID 15802956) is (1-tert-butyltriazol-4-yl)-trimethylsilane.
What is the SMILES notation for (1-tert-butyltriazol-4-yl)-trimethylsilane?
The canonical SMILES for (1-tert-butyltriazol-4-yl)-trimethylsilane is CC(C)(C)n1cc([Si](C)(C)C)nn1.
What is the InChIKey of (1-tert-butyltriazol-4-yl)-trimethylsilane?
The InChIKey is MABLMPNMYDLINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3Si/c1-9(2,3)12-7-8(10-11-12)13(4,5)6/h7H,1-6H3.
What are the key properties of (1-tert-butyltriazol-4-yl)-trimethylsilane?
(1-tert-butyltriazol-4-yl)-trimethylsilane has a molecular weight of 197.36 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butyltriazol-4-yl)-trimethylsilane is sourced from PubChem (CID 15802956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).