1-(benzotriazol-2-yloxy)butan-2-ol

C10H13N3O2 — CID 175001049

IUPAC1-(benzotriazol-2-yloxy)butan-2-ol
SMILESCCC(O)COn1nc2ccccc2n1
InChIInChI=1S/C10H13N3O2/c1-2-8(14)7-15-13-11-9-5-3-4-6-10(9)12-13/h3-6,8,14H,2,7H2,1H3
InChIKeySBXFFOJFGYAONJ-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.63
Rot. Bonds4

About 1-(benzotriazol-2-yloxy)butan-2-ol

1-(benzotriazol-2-yloxy)butan-2-ol (PubChem CID 175001049) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-(benzotriazol-2-yloxy)butan-2-ol.

Molecular Properties

Compound Name1-(benzotriazol-2-yloxy)butan-2-ol
PubChem CID175001049
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name1-(benzotriazol-2-yloxy)butan-2-ol
SMILESCCC(O)COn1nc2ccccc2n1
InChIInChI=1S/C10H13N3O2/c1-2-8(14)7-15-13-11-9-5-3-4-6-10(9)12-13/h3-6,8,14H,2,7H2,1H3
InChIKeySBXFFOJFGYAONJ-UHFFFAOYSA-N
XLogP0.63
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(benzotriazol-2-yloxy)butan-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

Frequently Asked Questions

What is the IUPAC name of 1-(benzotriazol-2-yloxy)butan-2-ol?
The IUPAC name of 1-(benzotriazol-2-yloxy)butan-2-ol (CID 175001049) is 1-(benzotriazol-2-yloxy)butan-2-ol.
What is the SMILES notation for 1-(benzotriazol-2-yloxy)butan-2-ol?
The canonical SMILES for 1-(benzotriazol-2-yloxy)butan-2-ol is CCC(O)COn1nc2ccccc2n1.
What is the InChIKey of 1-(benzotriazol-2-yloxy)butan-2-ol?
The InChIKey is SBXFFOJFGYAONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-2-8(14)7-15-13-11-9-5-3-4-6-10(9)12-13/h3-6,8,14H,2,7H2,1H3.
What are the key properties of 1-(benzotriazol-2-yloxy)butan-2-ol?
1-(benzotriazol-2-yloxy)butan-2-ol has a molecular weight of 207.23 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzotriazol-2-yloxy)butan-2-ol is sourced from PubChem (CID 175001049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).