1-hydroxy-4-methoxybenzotriazole

C7H7N3O2 — CID 118386895

IUPAC1-hydroxy-4-methoxybenzotriazole
SMILESCOc1cccc2c1nnn2O
InChIInChI=1S/C7H7N3O2/c1-12-6-4-2-3-5-7(6)8-9-10(5)11/h2-4,11H,1H3
InChIKeyHGLWFIRQRCAKFW-UHFFFAOYSA-N
MW165.15 g/mol
LogP0.68
Rot. Bonds1

About 1-hydroxy-4-methoxybenzotriazole

1-hydroxy-4-methoxybenzotriazole (PubChem CID 118386895) has the molecular formula C7H7N3O2 and a molecular weight of 165.15 g/mol. Its IUPAC name is 1-hydroxy-4-methoxybenzotriazole.

Molecular Properties

Compound Name1-hydroxy-4-methoxybenzotriazole
PubChem CID118386895
Molecular FormulaC7H7N3O2
Molecular Weight165.15 g/mol
Exact Mass165.05
IUPAC Name1-hydroxy-4-methoxybenzotriazole
SMILESCOc1cccc2c1nnn2O
InChIInChI=1S/C7H7N3O2/c1-12-6-4-2-3-5-7(6)8-9-10(5)11/h2-4,11H,1H3
InChIKeyHGLWFIRQRCAKFW-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'}

Analyze 1-hydroxy-4-methoxybenzotriazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-hydroxybenzotriazole-4-carboxylic acid
CID 22610969
magnesium bis(1-hydroxybenzotriazole-4-sulfonate)
CID 158563053
1-[(2-methoxyphenyl)methyl]benzotriazole-4-carboxylic acid
CID 115541602
4-methoxy-1-methyl-2-(trifluoromethyl)benzimidazole
CID 18316636
4-methoxy-1-methylbenzimidazole-2-carbaldehyde
CID 82404130
1,2-dimethoxybenzene;dihydrochloride
CID 19834650
azane;1,2-dimethoxybenzene
CID 174437926
argon;1-hydroxybenzotriazole
CID 87516361
4-chloro-6-methoxy-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 135276051
5-methoxy-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-ol
CID 115023393
4,7-dimethoxybenzotriazol-1-amine
CID 135083114
2-[2-(chloromethyl)-4-methoxybenzimidazol-1-yl]propanamide
CID 113393109

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-methoxybenzotriazole?
The IUPAC name of 1-hydroxy-4-methoxybenzotriazole (CID 118386895) is 1-hydroxy-4-methoxybenzotriazole.
What is the SMILES notation for 1-hydroxy-4-methoxybenzotriazole?
The canonical SMILES for 1-hydroxy-4-methoxybenzotriazole is COc1cccc2c1nnn2O.
What is the InChIKey of 1-hydroxy-4-methoxybenzotriazole?
The InChIKey is HGLWFIRQRCAKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2/c1-12-6-4-2-3-5-7(6)8-9-10(5)11/h2-4,11H,1H3.
What are the key properties of 1-hydroxy-4-methoxybenzotriazole?
1-hydroxy-4-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-4-methoxybenzotriazole is sourced from PubChem (CID 118386895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).