5-tert-butyl-1-(2,2-dimethylpropyl)triazole

C11H21N3 — CID 58318282

IUPAC5-tert-butyl-1-(2,2-dimethylpropyl)triazole
SMILESCC(C)(C)Cn1nncc1C(C)(C)C
InChIInChI=1S/C11H21N3/c1-10(2,3)8-14-9(7-12-13-14)11(4,5)6/h7H,8H2,1-6H3
InChIKeyWMWNZIQSWNMAJX-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.62
Rot. Bonds1

About 5-tert-butyl-1-(2,2-dimethylpropyl)triazole

5-tert-butyl-1-(2,2-dimethylpropyl)triazole (PubChem CID 58318282) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 5-tert-butyl-1-(2,2-dimethylpropyl)triazole.

Molecular Properties

Compound Name5-tert-butyl-1-(2,2-dimethylpropyl)triazole
PubChem CID58318282
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name5-tert-butyl-1-(2,2-dimethylpropyl)triazole
SMILESCC(C)(C)Cn1nncc1C(C)(C)C
InChIInChI=1S/C11H21N3/c1-10(2,3)8-14-9(7-12-13-14)11(4,5)6/h7H,8H2,1-6H3
InChIKeyWMWNZIQSWNMAJX-UHFFFAOYSA-N
XLogP2.62
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-tert-butyl-1-(2,2-dimethylpropyl)triazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-(2,2-dimethylpropyl)triazole?
The IUPAC name of 5-tert-butyl-1-(2,2-dimethylpropyl)triazole (CID 58318282) is 5-tert-butyl-1-(2,2-dimethylpropyl)triazole.
What is the SMILES notation for 5-tert-butyl-1-(2,2-dimethylpropyl)triazole?
The canonical SMILES for 5-tert-butyl-1-(2,2-dimethylpropyl)triazole is CC(C)(C)Cn1nncc1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-1-(2,2-dimethylpropyl)triazole?
The InChIKey is WMWNZIQSWNMAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-10(2,3)8-14-9(7-12-13-14)11(4,5)6/h7H,8H2,1-6H3.
What are the key properties of 5-tert-butyl-1-(2,2-dimethylpropyl)triazole?
5-tert-butyl-1-(2,2-dimethylpropyl)triazole has a molecular weight of 195.31 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-(2,2-dimethylpropyl)triazole is sourced from PubChem (CID 58318282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).