2-ethoxy-6-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol

C11H12N4O2 — CID 135458812

IUPAC2-ethoxy-6-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol
SMILESCCOc1cccc(/C=N/c2ncn[nH]2)c1O
InChIInChI=1S/C11H12N4O2/c1-2-17-9-5-3-4-8(10(9)16)6-12-11-13-7-14-15-11/h3-7,16H,2H2,1H3,(H,13,14,15)/b12-6+
InChIKeyZMSCJGQEVFTBQB-WUXMJOGZSA-N
MW232.24 g/mol
LogP1.66
Rot. Bonds4

About 2-ethoxy-6-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol

2-ethoxy-6-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol (PubChem CID 135458812) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-ethoxy-6-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol.

Molecular Properties

Compound Name2-ethoxy-6-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol
PubChem CID135458812
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name2-ethoxy-6-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol
SMILESCCOc1cccc(/C=N/c2ncn[nH]2)c1O
InChIInChI=1S/C11H12N4O2/c1-2-17-9-5-3-4-8(10(9)16)6-12-11-13-7-14-15-11/h3-7,16H,2H2,1H3,(H,13,14,15)/b12-6+
InChIKeyZMSCJGQEVFTBQB-WUXMJOGZSA-N
XLogP1.66
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-ethoxy-6-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol 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-ethoxy-6-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol?
The IUPAC name of 2-ethoxy-6-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol (CID 135458812) is 2-ethoxy-6-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol.
What is the SMILES notation for 2-ethoxy-6-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol?
The canonical SMILES for 2-ethoxy-6-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol is CCOc1cccc(/C=N/c2ncn[nH]2)c1O.
What is the InChIKey of 2-ethoxy-6-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol?
The InChIKey is ZMSCJGQEVFTBQB-WUXMJOGZSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-2-17-9-5-3-4-8(10(9)16)6-12-11-13-7-14-15-11/h3-7,16H,2H2,1H3,(H,13,14,15)/b12-6+.
What are the key properties of 2-ethoxy-6-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol?
2-ethoxy-6-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol has a molecular weight of 232.24 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol is sourced from PubChem (CID 135458812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).