1-phenylmethoxybenzotriazole

C13H11N3O — CID 4144706

IUPAC1-phenylmethoxybenzotriazole
SMILESc1ccc(COn2nnc3ccccc32)cc1
InChIInChI=1S/C13H11N3O/c1-2-6-11(7-3-1)10-17-16-13-9-5-4-8-12(13)14-15-16/h1-9H,10H2
InChIKeyLNSUYGWECNYHGG-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.06
Rot. Bonds3

About 1-phenylmethoxybenzotriazole

1-phenylmethoxybenzotriazole (PubChem CID 4144706) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-phenylmethoxybenzotriazole.

Molecular Properties

Compound Name1-phenylmethoxybenzotriazole
PubChem CID4144706
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name1-phenylmethoxybenzotriazole
SMILESc1ccc(COn2nnc3ccccc32)cc1
InChIInChI=1S/C13H11N3O/c1-2-6-11(7-3-1)10-17-16-13-9-5-4-8-12(13)14-15-16/h1-9H,10H2
InChIKeyLNSUYGWECNYHGG-UHFFFAOYSA-N
XLogP2.06
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-phenylmethoxybenzotriazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxybenzotriazole?
The IUPAC name of 1-phenylmethoxybenzotriazole (CID 4144706) is 1-phenylmethoxybenzotriazole.
What is the SMILES notation for 1-phenylmethoxybenzotriazole?
The canonical SMILES for 1-phenylmethoxybenzotriazole is c1ccc(COn2nnc3ccccc32)cc1.
What is the InChIKey of 1-phenylmethoxybenzotriazole?
The InChIKey is LNSUYGWECNYHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-2-6-11(7-3-1)10-17-16-13-9-5-4-8-12(13)14-15-16/h1-9H,10H2.
What are the key properties of 1-phenylmethoxybenzotriazole?
1-phenylmethoxybenzotriazole has a molecular weight of 225.25 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxybenzotriazole is sourced from PubChem (CID 4144706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).