2-pentan-2-ylbenzotriazole

C11H15N3 — CID 10352491

IUPAC2-pentan-2-ylbenzotriazole
SMILESCCCC(C)n1nc2ccccc2n1
InChIInChI=1S/C11H15N3/c1-3-6-9(2)14-12-10-7-4-5-8-11(10)13-14/h4-5,7-9H,3,6H2,1-2H3
InChIKeyKYGPPYWLZCYPKM-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.79
Rot. Bonds3

About 2-pentan-2-ylbenzotriazole

2-pentan-2-ylbenzotriazole (PubChem CID 10352491) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-pentan-2-ylbenzotriazole.

Molecular Properties

Compound Name2-pentan-2-ylbenzotriazole
PubChem CID10352491
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name2-pentan-2-ylbenzotriazole
SMILESCCCC(C)n1nc2ccccc2n1
InChIInChI=1S/C11H15N3/c1-3-6-9(2)14-12-10-7-4-5-8-11(10)13-14/h4-5,7-9H,3,6H2,1-2H3
InChIKeyKYGPPYWLZCYPKM-UHFFFAOYSA-N
XLogP2.79
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-pentan-2-ylbenzotriazole 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 2-pentan-2-ylbenzotriazole?
The IUPAC name of 2-pentan-2-ylbenzotriazole (CID 10352491) is 2-pentan-2-ylbenzotriazole.
What is the SMILES notation for 2-pentan-2-ylbenzotriazole?
The canonical SMILES for 2-pentan-2-ylbenzotriazole is CCCC(C)n1nc2ccccc2n1.
What is the InChIKey of 2-pentan-2-ylbenzotriazole?
The InChIKey is KYGPPYWLZCYPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-3-6-9(2)14-12-10-7-4-5-8-11(10)13-14/h4-5,7-9H,3,6H2,1-2H3.
What are the key properties of 2-pentan-2-ylbenzotriazole?
2-pentan-2-ylbenzotriazole has a molecular weight of 189.26 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentan-2-ylbenzotriazole is sourced from PubChem (CID 10352491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).