1-hydroxy-6-methoxybenzotriazole

C7H7N3O2 — CID 22610964

IUPAC1-hydroxy-6-methoxybenzotriazole
SMILESCOc1ccc2nnn(O)c2c1
InChIInChI=1S/C7H7N3O2/c1-12-5-2-3-6-7(4-5)10(11)9-8-6/h2-4,11H,1H3
InChIKeySIQXGSXHNVEPDX-UHFFFAOYSA-N
MW165.15 g/mol
LogP0.68
Rot. Bonds1

About 1-hydroxy-6-methoxybenzotriazole

1-hydroxy-6-methoxybenzotriazole (PubChem CID 22610964) has the molecular formula C7H7N3O2 and a molecular weight of 165.15 g/mol. Its IUPAC name is 1-hydroxy-6-methoxybenzotriazole.

Molecular Properties

Compound Name1-hydroxy-6-methoxybenzotriazole
PubChem CID22610964
Molecular FormulaC7H7N3O2
Molecular Weight165.15 g/mol
Exact Mass165.05
IUPAC Name1-hydroxy-6-methoxybenzotriazole
SMILESCOc1ccc2nnn(O)c2c1
InChIInChI=1S/C7H7N3O2/c1-12-5-2-3-6-7(4-5)10(11)9-8-6/h2-4,11H,1H3
InChIKeySIQXGSXHNVEPDX-UHFFFAOYSA-N
XLogP0.68
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 50.68
H-Bond Donors ≤ 51
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-hydroxy-6-methoxybenzotriazole?
The IUPAC name of 1-hydroxy-6-methoxybenzotriazole (CID 22610964) is 1-hydroxy-6-methoxybenzotriazole.
What is the SMILES notation for 1-hydroxy-6-methoxybenzotriazole?
The canonical SMILES for 1-hydroxy-6-methoxybenzotriazole is COc1ccc2nnn(O)c2c1.
What is the InChIKey of 1-hydroxy-6-methoxybenzotriazole?
The InChIKey is SIQXGSXHNVEPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2/c1-12-5-2-3-6-7(4-5)10(11)9-8-6/h2-4,11H,1H3.
What are the key properties of 1-hydroxy-6-methoxybenzotriazole?
1-hydroxy-6-methoxybenzotriazole has a molecular weight of 165.15 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-6-methoxybenzotriazole is sourced from PubChem (CID 22610964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).