4-chloro-1-(2,2-dimethylpropyl)benzotriazol-5-ol

C11H14ClN3O — CID 67608586

IUPAC4-chloro-1-(2,2-dimethylpropyl)benzotriazol-5-ol
SMILESCC(C)(C)Cn1nnc2c(Cl)c(O)ccc21
InChIInChI=1S/C11H14ClN3O/c1-11(2,3)6-15-7-4-5-8(16)9(12)10(7)13-14-15/h4-5,16H,6H2,1-3H3
InChIKeyUUJNZAUEKQJYPD-UHFFFAOYSA-N
MW239.71 g/mol
LogP2.84
Rot. Bonds1

About 4-chloro-1-(2,2-dimethylpropyl)benzotriazol-5-ol

4-chloro-1-(2,2-dimethylpropyl)benzotriazol-5-ol (PubChem CID 67608586) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is 4-chloro-1-(2,2-dimethylpropyl)benzotriazol-5-ol.

Molecular Properties

Compound Name4-chloro-1-(2,2-dimethylpropyl)benzotriazol-5-ol
PubChem CID67608586
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name4-chloro-1-(2,2-dimethylpropyl)benzotriazol-5-ol
SMILESCC(C)(C)Cn1nnc2c(Cl)c(O)ccc21
InChIInChI=1S/C11H14ClN3O/c1-11(2,3)6-15-7-4-5-8(16)9(12)10(7)13-14-15/h4-5,16H,6H2,1-3H3
InChIKeyUUJNZAUEKQJYPD-UHFFFAOYSA-N
XLogP2.84
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2,2-dimethylpropyl)benzotriazol-5-ol?
The IUPAC name of 4-chloro-1-(2,2-dimethylpropyl)benzotriazol-5-ol (CID 67608586) is 4-chloro-1-(2,2-dimethylpropyl)benzotriazol-5-ol.
What is the SMILES notation for 4-chloro-1-(2,2-dimethylpropyl)benzotriazol-5-ol?
The canonical SMILES for 4-chloro-1-(2,2-dimethylpropyl)benzotriazol-5-ol is CC(C)(C)Cn1nnc2c(Cl)c(O)ccc21.
What is the InChIKey of 4-chloro-1-(2,2-dimethylpropyl)benzotriazol-5-ol?
The InChIKey is UUJNZAUEKQJYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c1-11(2,3)6-15-7-4-5-8(16)9(12)10(7)13-14-15/h4-5,16H,6H2,1-3H3.
What are the key properties of 4-chloro-1-(2,2-dimethylpropyl)benzotriazol-5-ol?
4-chloro-1-(2,2-dimethylpropyl)benzotriazol-5-ol has a molecular weight of 239.71 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2,2-dimethylpropyl)benzotriazol-5-ol is sourced from PubChem (CID 67608586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).