1-hydroxybenzo[e]benzotriazol-4-ol

C10H7N3O2 — CID 151175356

IUPAC1-hydroxybenzo[e]benzotriazol-4-ol
SMILESOc1cc2ccccc2c2c1nnn2O
InChIInChI=1S/C10H7N3O2/c14-8-5-6-3-1-2-4-7(6)10-9(8)11-12-13(10)15/h1-5,14-15H
InChIKeyXZUUNHRXVAMHKE-UHFFFAOYSA-N
MW201.19 g/mol
LogP1.53
Rot. Bonds

About 1-hydroxybenzo[e]benzotriazol-4-ol

1-hydroxybenzo[e]benzotriazol-4-ol (PubChem CID 151175356) has the molecular formula C10H7N3O2 and a molecular weight of 201.19 g/mol. Its IUPAC name is 1-hydroxybenzo[e]benzotriazol-4-ol.

Molecular Properties

Compound Name1-hydroxybenzo[e]benzotriazol-4-ol
PubChem CID151175356
Molecular FormulaC10H7N3O2
Molecular Weight201.19 g/mol
Exact Mass201.05
IUPAC Name1-hydroxybenzo[e]benzotriazol-4-ol
SMILESOc1cc2ccccc2c2c1nnn2O
InChIInChI=1S/C10H7N3O2/c14-8-5-6-3-1-2-4-7(6)10-9(8)11-12-13(10)15/h1-5,14-15H
InChIKeyXZUUNHRXVAMHKE-UHFFFAOYSA-N
XLogP1.53
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxybenzo[e]benzotriazol-4-ol?
The IUPAC name of 1-hydroxybenzo[e]benzotriazol-4-ol (CID 151175356) is 1-hydroxybenzo[e]benzotriazol-4-ol.
What is the SMILES notation for 1-hydroxybenzo[e]benzotriazol-4-ol?
The canonical SMILES for 1-hydroxybenzo[e]benzotriazol-4-ol is Oc1cc2ccccc2c2c1nnn2O.
What is the InChIKey of 1-hydroxybenzo[e]benzotriazol-4-ol?
The InChIKey is XZUUNHRXVAMHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O2/c14-8-5-6-3-1-2-4-7(6)10-9(8)11-12-13(10)15/h1-5,14-15H.
What are the key properties of 1-hydroxybenzo[e]benzotriazol-4-ol?
1-hydroxybenzo[e]benzotriazol-4-ol has a molecular weight of 201.19 g/mol, XLogP of 1.53, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxybenzo[e]benzotriazol-4-ol is sourced from PubChem (CID 151175356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).