5-(2,2-dimethylpropyl)-4-methyl-1-propyltriazole

C11H21N3 — CID 69384669

IUPAC5-(2,2-dimethylpropyl)-4-methyl-1-propyltriazole
SMILESCCCn1nnc(C)c1CC(C)(C)C
InChIInChI=1S/C11H21N3/c1-6-7-14-10(8-11(3,4)5)9(2)12-13-14/h6-8H2,1-5H3
InChIKeyLJGKHNKGTQPIJU-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.59
Rot. Bonds3

About 5-(2,2-dimethylpropyl)-4-methyl-1-propyltriazole

5-(2,2-dimethylpropyl)-4-methyl-1-propyltriazole (PubChem CID 69384669) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-4-methyl-1-propyltriazole.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-4-methyl-1-propyltriazole
PubChem CID69384669
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name5-(2,2-dimethylpropyl)-4-methyl-1-propyltriazole
SMILESCCCn1nnc(C)c1CC(C)(C)C
InChIInChI=1S/C11H21N3/c1-6-7-14-10(8-11(3,4)5)9(2)12-13-14/h6-8H2,1-5H3
InChIKeyLJGKHNKGTQPIJU-UHFFFAOYSA-N
XLogP2.59
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(2,2-dimethylpropyl)-4-methyl-1-propyltriazole 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-(2,2-dimethylpropyl)-4-methyl-1-propyltriazole?
The IUPAC name of 5-(2,2-dimethylpropyl)-4-methyl-1-propyltriazole (CID 69384669) is 5-(2,2-dimethylpropyl)-4-methyl-1-propyltriazole.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-4-methyl-1-propyltriazole?
The canonical SMILES for 5-(2,2-dimethylpropyl)-4-methyl-1-propyltriazole is CCCn1nnc(C)c1CC(C)(C)C.
What is the InChIKey of 5-(2,2-dimethylpropyl)-4-methyl-1-propyltriazole?
The InChIKey is LJGKHNKGTQPIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-6-7-14-10(8-11(3,4)5)9(2)12-13-14/h6-8H2,1-5H3.
What are the key properties of 5-(2,2-dimethylpropyl)-4-methyl-1-propyltriazole?
5-(2,2-dimethylpropyl)-4-methyl-1-propyltriazole has a molecular weight of 195.31 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-4-methyl-1-propyltriazole is sourced from PubChem (CID 69384669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).