(E)-1-[4-methoxy-3-[(3-methoxyphenoxy)methyl]phenyl]-N-(1,2,4-triazol-1-yl)methanimine

C18H18N4O3 — CID 6858979

IUPAC(E)-1-[4-methoxy-3-[(3-methoxyphenoxy)methyl]phenyl]-N-(1,2,4-triazol-1-yl)methanimine
SMILESCOc1cccc(OCc2cc(/C=N/n3cncn3)ccc2OC)c1
InChIInChI=1S/C18H18N4O3/c1-23-16-4-3-5-17(9-16)25-11-15-8-14(6-7-18(15)24-2)10-20-22-13-19-12-21-22/h3-10,12-13H,11H2,1-2H3/b20-10+
InChIKeyLRBUXUAWBJSBAA-KEBDBYFISA-N
MW338.37 g/mol
LogP2.76
Rot. Bonds7

About (E)-1-[4-methoxy-3-[(3-methoxyphenoxy)methyl]phenyl]-N-(1,2,4-triazol-1-yl)methanimine

(E)-1-[4-methoxy-3-[(3-methoxyphenoxy)methyl]phenyl]-N-(1,2,4-triazol-1-yl)methanimine (PubChem CID 6858979) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is (E)-1-[4-methoxy-3-[(3-methoxyphenoxy)methyl]phenyl]-N-(1,2,4-triazol-1-yl)methanimine.

Molecular Properties

Compound Name(E)-1-[4-methoxy-3-[(3-methoxyphenoxy)methyl]phenyl]-N-(1,2,4-triazol-1-yl)methanimine
PubChem CID6858979
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name(E)-1-[4-methoxy-3-[(3-methoxyphenoxy)methyl]phenyl]-N-(1,2,4-triazol-1-yl)methanimine
SMILESCOc1cccc(OCc2cc(/C=N/n3cncn3)ccc2OC)c1
InChIInChI=1S/C18H18N4O3/c1-23-16-4-3-5-17(9-16)25-11-15-8-14(6-7-18(15)24-2)10-20-22-13-19-12-21-22/h3-10,12-13H,11H2,1-2H3/b20-10+
InChIKeyLRBUXUAWBJSBAA-KEBDBYFISA-N
XLogP2.76
TPSA70.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (E)-1-[4-methoxy-3-[(3-methoxyphenoxy)methyl]phenyl]-N-(1,2,4-triazol-1-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

N-{(E)-[3-(2-phenoxyethoxy)phenyl]methylidene}-4H-1,2,4-triazol-4-amine
CID 5343621
N-[(2,7-dimethoxy-1-naphthyl)methylene]-4H-1,2,4-triazol-4-amine
CID 6858676
N-{(E)-[4-(benzyloxy)-3-methoxyphenyl]methylidene}-4H-1,2,4-triazol-4-amine
CID 6858631
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
(NE)-N-[(4-Ethoxyphenyl)methylidene]-4H-1,2,4-triazol-4-amine
CID 6858418
1-[4-[(4-fluorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 6858836
(E)-1-[3-[2-(3-Methoxyphenoxy)ethoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 6897840
N-[(E)-(2-propoxynaphthalen-1-yl)methylidene]-4H-1,2,4-triazol-4-amine
CID 6898263
N-[(2,7-diethoxy-1-naphthyl)methylene]-4H-1,2,4-triazol-4-amine
CID 6858395

Frequently Asked Questions

What is the IUPAC name of (E)-1-[4-methoxy-3-[(3-methoxyphenoxy)methyl]phenyl]-N-(1,2,4-triazol-1-yl)methanimine?
The IUPAC name of (E)-1-[4-methoxy-3-[(3-methoxyphenoxy)methyl]phenyl]-N-(1,2,4-triazol-1-yl)methanimine (CID 6858979) is (E)-1-[4-methoxy-3-[(3-methoxyphenoxy)methyl]phenyl]-N-(1,2,4-triazol-1-yl)methanimine.
What is the SMILES notation for (E)-1-[4-methoxy-3-[(3-methoxyphenoxy)methyl]phenyl]-N-(1,2,4-triazol-1-yl)methanimine?
The canonical SMILES for (E)-1-[4-methoxy-3-[(3-methoxyphenoxy)methyl]phenyl]-N-(1,2,4-triazol-1-yl)methanimine is COc1cccc(OCc2cc(/C=N/n3cncn3)ccc2OC)c1.
What is the InChIKey of (E)-1-[4-methoxy-3-[(3-methoxyphenoxy)methyl]phenyl]-N-(1,2,4-triazol-1-yl)methanimine?
The InChIKey is LRBUXUAWBJSBAA-KEBDBYFISA-N. The full InChI is InChI=1S/C18H18N4O3/c1-23-16-4-3-5-17(9-16)25-11-15-8-14(6-7-18(15)24-2)10-20-22-13-19-12-21-22/h3-10,12-13H,11H2,1-2H3/b20-10+.
What are the key properties of (E)-1-[4-methoxy-3-[(3-methoxyphenoxy)methyl]phenyl]-N-(1,2,4-triazol-1-yl)methanimine?
(E)-1-[4-methoxy-3-[(3-methoxyphenoxy)methyl]phenyl]-N-(1,2,4-triazol-1-yl)methanimine has a molecular weight of 338.37 g/mol, XLogP of 2.76, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[4-methoxy-3-[(3-methoxyphenoxy)methyl]phenyl]-N-(1,2,4-triazol-1-yl)methanimine is sourced from PubChem (CID 6858979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).