2-(benzotriazol-2-yl)benzene-1,3,5-triol

C12H9N3O3 — CID 18428797

IUPAC2-(benzotriazol-2-yl)benzene-1,3,5-triol
SMILESOc1cc(O)c(-n2nc3ccccc3n2)c(O)c1
InChIInChI=1S/C12H9N3O3/c16-7-5-10(17)12(11(18)6-7)15-13-8-3-1-2-4-9(8)14-15/h1-6,16-18H
InChIKeyBUPWWGPVYBCXEG-UHFFFAOYSA-N
MW243.22 g/mol
LogP1.54
Rot. Bonds1

About 2-(benzotriazol-2-yl)benzene-1,3,5-triol

2-(benzotriazol-2-yl)benzene-1,3,5-triol (PubChem CID 18428797) has the molecular formula C12H9N3O3 and a molecular weight of 243.22 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)benzene-1,3,5-triol.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)benzene-1,3,5-triol
PubChem CID18428797
Molecular FormulaC12H9N3O3
Molecular Weight243.22 g/mol
Exact Mass243.06
IUPAC Name2-(benzotriazol-2-yl)benzene-1,3,5-triol
SMILESOc1cc(O)c(-n2nc3ccccc3n2)c(O)c1
InChIInChI=1S/C12H9N3O3/c16-7-5-10(17)12(11(18)6-7)15-13-8-3-1-2-4-9(8)14-15/h1-6,16-18H
InChIKeyBUPWWGPVYBCXEG-UHFFFAOYSA-N
XLogP1.54
TPSA91.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)benzene-1,3,5-triol?
The IUPAC name of 2-(benzotriazol-2-yl)benzene-1,3,5-triol (CID 18428797) is 2-(benzotriazol-2-yl)benzene-1,3,5-triol.
What is the SMILES notation for 2-(benzotriazol-2-yl)benzene-1,3,5-triol?
The canonical SMILES for 2-(benzotriazol-2-yl)benzene-1,3,5-triol is Oc1cc(O)c(-n2nc3ccccc3n2)c(O)c1.
What is the InChIKey of 2-(benzotriazol-2-yl)benzene-1,3,5-triol?
The InChIKey is BUPWWGPVYBCXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O3/c16-7-5-10(17)12(11(18)6-7)15-13-8-3-1-2-4-9(8)14-15/h1-6,16-18H.
What are the key properties of 2-(benzotriazol-2-yl)benzene-1,3,5-triol?
2-(benzotriazol-2-yl)benzene-1,3,5-triol has a molecular weight of 243.22 g/mol, XLogP of 1.54, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)benzene-1,3,5-triol is sourced from PubChem (CID 18428797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).