2-(2-ethoxyethyl)benzotriazole

C10H13N3O — CID 139251499

IUPAC2-(2-ethoxyethyl)benzotriazole
SMILESCCOCCn1nc2ccccc2n1
InChIInChI=1S/C10H13N3O/c1-2-14-8-7-13-11-9-5-3-4-6-10(9)12-13/h3-6H,2,7-8H2,1H3
InChIKeySPTAHUQXVOTPOH-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.47
Rot. Bonds4

About 2-(2-ethoxyethyl)benzotriazole

2-(2-ethoxyethyl)benzotriazole (PubChem CID 139251499) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-(2-ethoxyethyl)benzotriazole.

Molecular Properties

Compound Name2-(2-ethoxyethyl)benzotriazole
PubChem CID139251499
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name2-(2-ethoxyethyl)benzotriazole
SMILESCCOCCn1nc2ccccc2n1
InChIInChI=1S/C10H13N3O/c1-2-14-8-7-13-11-9-5-3-4-6-10(9)12-13/h3-6H,2,7-8H2,1H3
InChIKeySPTAHUQXVOTPOH-UHFFFAOYSA-N
XLogP1.47
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-ethoxyethyl)benzotriazole 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 2-(2-ethoxyethyl)benzotriazole?
The IUPAC name of 2-(2-ethoxyethyl)benzotriazole (CID 139251499) is 2-(2-ethoxyethyl)benzotriazole.
What is the SMILES notation for 2-(2-ethoxyethyl)benzotriazole?
The canonical SMILES for 2-(2-ethoxyethyl)benzotriazole is CCOCCn1nc2ccccc2n1.
What is the InChIKey of 2-(2-ethoxyethyl)benzotriazole?
The InChIKey is SPTAHUQXVOTPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-2-14-8-7-13-11-9-5-3-4-6-10(9)12-13/h3-6H,2,7-8H2,1H3.
What are the key properties of 2-(2-ethoxyethyl)benzotriazole?
2-(2-ethoxyethyl)benzotriazole has a molecular weight of 191.23 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethyl)benzotriazole is sourced from PubChem (CID 139251499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).