6-ethoxy-2-(4-fluorophenyl)benzotriazol-5-amine

C14H13FN4O — CID 91676239

IUPAC6-ethoxy-2-(4-fluorophenyl)benzotriazol-5-amine
SMILESCCOc1cc2nn(-c3ccc(F)cc3)nc2cc1N
InChIInChI=1S/C14H13FN4O/c1-2-20-14-8-13-12(7-11(14)16)17-19(18-13)10-5-3-9(15)4-6-10/h3-8H,2,16H2,1H3
InChIKeyRDRLUWDRIKSJIQ-UHFFFAOYSA-N
MW272.28 g/mol
LogP2.54
Rot. Bonds3

About 6-ethoxy-2-(4-fluorophenyl)benzotriazol-5-amine

6-ethoxy-2-(4-fluorophenyl)benzotriazol-5-amine (PubChem CID 91676239) has the molecular formula C14H13FN4O and a molecular weight of 272.28 g/mol. Its IUPAC name is 6-ethoxy-2-(4-fluorophenyl)benzotriazol-5-amine.

Molecular Properties

Compound Name6-ethoxy-2-(4-fluorophenyl)benzotriazol-5-amine
PubChem CID91676239
Molecular FormulaC14H13FN4O
Molecular Weight272.28 g/mol
Exact Mass272.11
IUPAC Name6-ethoxy-2-(4-fluorophenyl)benzotriazol-5-amine
SMILESCCOc1cc2nn(-c3ccc(F)cc3)nc2cc1N
InChIInChI=1S/C14H13FN4O/c1-2-20-14-8-13-12(7-11(14)16)17-19(18-13)10-5-3-9(15)4-6-10/h3-8H,2,16H2,1H3
InChIKeyRDRLUWDRIKSJIQ-UHFFFAOYSA-N
XLogP2.54
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-ethoxy-2-(4-fluorophenyl)benzotriazol-5-amine 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 6-ethoxy-2-(4-fluorophenyl)benzotriazol-5-amine?
The IUPAC name of 6-ethoxy-2-(4-fluorophenyl)benzotriazol-5-amine (CID 91676239) is 6-ethoxy-2-(4-fluorophenyl)benzotriazol-5-amine.
What is the SMILES notation for 6-ethoxy-2-(4-fluorophenyl)benzotriazol-5-amine?
The canonical SMILES for 6-ethoxy-2-(4-fluorophenyl)benzotriazol-5-amine is CCOc1cc2nn(-c3ccc(F)cc3)nc2cc1N.
What is the InChIKey of 6-ethoxy-2-(4-fluorophenyl)benzotriazol-5-amine?
The InChIKey is RDRLUWDRIKSJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O/c1-2-20-14-8-13-12(7-11(14)16)17-19(18-13)10-5-3-9(15)4-6-10/h3-8H,2,16H2,1H3.
What are the key properties of 6-ethoxy-2-(4-fluorophenyl)benzotriazol-5-amine?
6-ethoxy-2-(4-fluorophenyl)benzotriazol-5-amine has a molecular weight of 272.28 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-(4-fluorophenyl)benzotriazol-5-amine is sourced from PubChem (CID 91676239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).