3-methoxybenzotriazol-4-ol

C7H7N3O2 — CID 18737163

IUPAC3-methoxybenzotriazol-4-ol
SMILESCOn1nnc2cccc(O)c21
InChIInChI=1S/C7H7N3O2/c1-12-10-7-5(8-9-10)3-2-4-6(7)11/h2-4,11H,1H3
InChIKeyGYXQKXCNLOQHDC-UHFFFAOYSA-N
MW165.15 g/mol
LogP0.20
Rot. Bonds1

About 3-methoxybenzotriazol-4-ol

3-methoxybenzotriazol-4-ol (PubChem CID 18737163) has the molecular formula C7H7N3O2 and a molecular weight of 165.15 g/mol. Its IUPAC name is 3-methoxybenzotriazol-4-ol.

Molecular Properties

Compound Name3-methoxybenzotriazol-4-ol
PubChem CID18737163
Molecular FormulaC7H7N3O2
Molecular Weight165.15 g/mol
Exact Mass165.05
IUPAC Name3-methoxybenzotriazol-4-ol
SMILESCOn1nnc2cccc(O)c21
InChIInChI=1S/C7H7N3O2/c1-12-10-7-5(8-9-10)3-2-4-6(7)11/h2-4,11H,1H3
InChIKeyGYXQKXCNLOQHDC-UHFFFAOYSA-N
XLogP0.20
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 ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxybenzotriazol-4-ol?
The IUPAC name of 3-methoxybenzotriazol-4-ol (CID 18737163) is 3-methoxybenzotriazol-4-ol.
What is the SMILES notation for 3-methoxybenzotriazol-4-ol?
The canonical SMILES for 3-methoxybenzotriazol-4-ol is COn1nnc2cccc(O)c21.
What is the InChIKey of 3-methoxybenzotriazol-4-ol?
The InChIKey is GYXQKXCNLOQHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2/c1-12-10-7-5(8-9-10)3-2-4-6(7)11/h2-4,11H,1H3.
What are the key properties of 3-methoxybenzotriazol-4-ol?
3-methoxybenzotriazol-4-ol has a molecular weight of 165.15 g/mol, XLogP of 0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxybenzotriazol-4-ol is sourced from PubChem (CID 18737163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).