1-hydroxybenzo[e]benzotriazole

C10H7N3O — CID 902499

IUPAC1-hydroxybenzo[e]benzotriazole
SMILESOn1nnc2ccc3ccccc3c21
InChIInChI=1S/C10H7N3O/c14-13-10-8-4-2-1-3-7(8)5-6-9(10)11-12-13/h1-6,14H
InChIKeyHMMSTXIQFCBSTL-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.82
Rot. Bonds

About 1-hydroxybenzo[e]benzotriazole

1-hydroxybenzo[e]benzotriazole (PubChem CID 902499) has the molecular formula C10H7N3O and a molecular weight of 185.19 g/mol. Its IUPAC name is 1-hydroxybenzo[e]benzotriazole.

Molecular Properties

Compound Name1-hydroxybenzo[e]benzotriazole
PubChem CID902499
Molecular FormulaC10H7N3O
Molecular Weight185.19 g/mol
Exact Mass185.06
IUPAC Name1-hydroxybenzo[e]benzotriazole
SMILESOn1nnc2ccc3ccccc3c21
InChIInChI=1S/C10H7N3O/c14-13-10-8-4-2-1-3-7(8)5-6-9(10)11-12-13/h1-6,14H
InChIKeyHMMSTXIQFCBSTL-UHFFFAOYSA-N
XLogP1.82
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-Hydroxy-6-(trifluoromethyl)benzotriazole
CID 688194
5,6-dimethyl-1H-benzotriazole
CID 77849
Mls003106484
CID 292642
1H-naphtho(2,3-d)triazole
CID 123045
5,6-Dimethyl-1H-benzotriazole, hydrate (1:1)
CID 16219214
4-(2H-1,2,3-benzotriazol-2-yl)-2,3-dimethylphenylamine
CID 830518
Naphtho(2,3-c)(1,2,5)selenadiazole
CID 357321
1H-Naphtho(1,2-d)triazole
CID 136048
1H-Benzotriazole, 1-hydroxy-5-(trifluoromethyl)-
CID 600274
1H-Benzotriazole, 6-butyl-, sodium salt (1:1)
CID 44144773
Naphtho[1,2-c:5,6-c']bis[1,2,5]thiadiazole
CID 14896996
1H-phenanthro[9,10-d][1,2,3]triazol-1-ol
CID 7832260

Frequently Asked Questions

What is the IUPAC name of 1-hydroxybenzo[e]benzotriazole?
The IUPAC name of 1-hydroxybenzo[e]benzotriazole (CID 902499) is 1-hydroxybenzo[e]benzotriazole.
What is the SMILES notation for 1-hydroxybenzo[e]benzotriazole?
The canonical SMILES for 1-hydroxybenzo[e]benzotriazole is On1nnc2ccc3ccccc3c21.
What is the InChIKey of 1-hydroxybenzo[e]benzotriazole?
The InChIKey is HMMSTXIQFCBSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O/c14-13-10-8-4-2-1-3-7(8)5-6-9(10)11-12-13/h1-6,14H.
What are the key properties of 1-hydroxybenzo[e]benzotriazole?
1-hydroxybenzo[e]benzotriazole has a molecular weight of 185.19 g/mol, XLogP of 1.82, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxybenzo[e]benzotriazole is sourced from PubChem (CID 902499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).