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1-(benzotriazol-1-yl)-2-methylbutan-2-ol

C11H15N3O — CID 15881476

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-(benzotriazol-1-yl)-2-methylbutan-2-ol
SMILESCCC(C)(O)Cn1nnc2ccccc21
InChIInChI=1S/C11H15N3O/c1-3-11(2,15)8-14-10-7-5-4-6-9(10)12-13-14/h4-7,15H,3,8H2,1-2H3
InChIKeyOUNOMGYHNYKPKY-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.59
Rot. Bonds3

About 1-(benzotriazol-1-yl)-2-methylbutan-2-ol

1-(benzotriazol-1-yl)-2-methylbutan-2-ol (PubChem CID 15881476) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-(benzotriazol-1-yl)-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-(benzotriazol-1-yl)-2-methylbutan-2-ol
PubChem CID15881476
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name1-(benzotriazol-1-yl)-2-methylbutan-2-ol
SMILESCCC(C)(O)Cn1nnc2ccccc21
InChIInChI=1S/C11H15N3O/c1-3-11(2,15)8-14-10-7-5-4-6-9(10)12-13-14/h4-7,15H,3,8H2,1-2H3
InChIKeyOUNOMGYHNYKPKY-UHFFFAOYSA-N
XLogP1.59
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(benzotriazol-1-yl)-2-methylbutan-2-ol?
The IUPAC name of 1-(benzotriazol-1-yl)-2-methylbutan-2-ol (CID 15881476) is 1-(benzotriazol-1-yl)-2-methylbutan-2-ol.
What is the SMILES notation for 1-(benzotriazol-1-yl)-2-methylbutan-2-ol?
The canonical SMILES for 1-(benzotriazol-1-yl)-2-methylbutan-2-ol is CCC(C)(O)Cn1nnc2ccccc21.
What is the InChIKey of 1-(benzotriazol-1-yl)-2-methylbutan-2-ol?
The InChIKey is OUNOMGYHNYKPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-3-11(2,15)8-14-10-7-5-4-6-9(10)12-13-14/h4-7,15H,3,8H2,1-2H3.
What are the key properties of 1-(benzotriazol-1-yl)-2-methylbutan-2-ol?
1-(benzotriazol-1-yl)-2-methylbutan-2-ol has a molecular weight of 205.26 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzotriazol-1-yl)-2-methylbutan-2-ol is sourced from PubChem (CID 15881476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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