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

C11H15N3O — CID 15881476

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

Analyze 1-(benzotriazol-1-yl)-2-methylbutan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

N-[3-(benzotriazol-1-yl)-2,2-dimethylpropyl]cyclopropanamine
CID 79621816
methyl 4-(benzotriazol-1-yl)-2,2-dimethyl-3-oxobutanoate
CID 112752297
1-tridecylbenzotriazole
CID 21059042
diethyl 2-(benzotriazol-1-ylmethyl)propanedioate
CID 10039908
1-(butylselanylmethyl)benzotriazole
CID 10635572
1-[6-(benzotriazol-1-yl)hexyl]benzotriazole
CID 3740271
3-(benzotriazol-1-yl)propan-1-amine
CID 4220188
3-(benzotriazol-1-yl)propane-1,1-diol
CID 66686231
1-(2-methylsulfanylethyl)benzotriazole
CID 131018915
N-(benzotriazol-1-ylmethyl)propanamide
CID 3767707
N-(benzotriazol-1-ylmethyl)-N-tert-butylaniline
CID 3575493
silver 1-octylbenzotriazole
CID 19818350

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).