(E)-1-(4-ethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine

C11H12N4O — CID 6858418

IUPAC(E)-1-(4-ethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
SMILESCCOc1ccc(/C=N/n2cnnc2)cc1
InChIInChI=1S/C11H12N4O/c1-2-16-11-5-3-10(4-6-11)7-14-15-8-12-13-9-15/h3-9H,2H2,1H3/b14-7+
InChIKeyNOXFVNDTPNQUDJ-VGOFMYFVSA-N
MW216.24 g/mol
LogP1.56
Rot. Bonds4

About (E)-1-(4-ethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine

(E)-1-(4-ethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine (PubChem CID 6858418) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is (E)-1-(4-ethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name(E)-1-(4-ethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
PubChem CID6858418
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name(E)-1-(4-ethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
SMILESCCOc1ccc(/C=N/n2cnnc2)cc1
InChIInChI=1S/C11H12N4O/c1-2-16-11-5-3-10(4-6-11)7-14-15-8-12-13-9-15/h3-9H,2H2,1H3/b14-7+
InChIKeyNOXFVNDTPNQUDJ-VGOFMYFVSA-N
XLogP1.56
TPSA52.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-1-(4-ethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine with MolForge

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

Launch Full Analysis

Related Compounds

2-Ethoxy-4-((4H-1,2,4-triazol-4-ylimino)methyl)phenol
CID 135449248
N-{(E)-[3-(2-phenoxyethoxy)phenyl]methylidene}-4H-1,2,4-triazol-4-amine
CID 5343621
N-[(E)-(3-bromo-4-methoxyphenyl)methylidene]-4H-1,2,4-triazol-4-amine
CID 5339238
2-Methoxy-4-((4H-1,2,4-triazol-4-ylimino)methyl)phenol
CID 135421763
6-(4-ethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 621309
N-{(E)-[4-(benzyloxy)-3-methoxyphenyl]methylidene}-4H-1,2,4-triazol-4-amine
CID 6858631
4-[(4H-1,2,4-triazol-4-ylimino)methyl]benzenol
CID 135400472
3-[4-((1E)-2-(1,2,4-triazol-4-yl)-2-azavinyl)phenoxy]thietane
CID 5341486
1-[4-[(2-fluorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 5349808
N-[4-(1-naphthylmethoxy)benzylidene]-4H-1,2,4-triazol-4-amine
CID 5349906
N-[(E)-(3-ethoxy-4-{2-[2-methoxy-4-(prop-2-en-1-yl)phenoxy]ethoxy}phenyl)methylidene]-4H-1,2,4-triazol-4-amine
CID 5350331
N-{3-methoxy-4-[(4-methylbenzyl)oxy]benzylidene}-4H-1,2,4-triazol-4-amine
CID 6858398

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-ethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
The IUPAC name of (E)-1-(4-ethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine (CID 6858418) is (E)-1-(4-ethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for (E)-1-(4-ethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for (E)-1-(4-ethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine is CCOc1ccc(/C=N/n2cnnc2)cc1.
What is the InChIKey of (E)-1-(4-ethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
The InChIKey is NOXFVNDTPNQUDJ-VGOFMYFVSA-N. The full InChI is InChI=1S/C11H12N4O/c1-2-16-11-5-3-10(4-6-11)7-14-15-8-12-13-9-15/h3-9H,2H2,1H3/b14-7+.
What are the key properties of (E)-1-(4-ethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
(E)-1-(4-ethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine has a molecular weight of 216.24 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-ethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 6858418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).