1-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methoxy]-2-(1,2,4-triazol-1-yl)ethanimine

C17H12Cl4N4O — CID 54420429

IUPAC1-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methoxy]-2-(1,2,4-triazol-1-yl)ethanimine
SMILESClc1ccc(CON=C(Cn2cncn2)c2ccc(Cl)cc2Cl)c(Cl)c1
InChIInChI=1S/C17H12Cl4N4O/c18-12-2-1-11(15(20)5-12)8-26-24-17(7-25-10-22-9-23-25)14-4-3-13(19)6-16(14)21/h1-6,9-10H,7-8H2
InChIKeyWAKSGLQGVFUDGY-UHFFFAOYSA-N
MW430.12 g/mol
LogP5.51
Rot. Bonds6

About 1-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methoxy]-2-(1,2,4-triazol-1-yl)ethanimine

1-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methoxy]-2-(1,2,4-triazol-1-yl)ethanimine (PubChem CID 54420429) has the molecular formula C17H12Cl4N4O and a molecular weight of 430.12 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methoxy]-2-(1,2,4-triazol-1-yl)ethanimine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methoxy]-2-(1,2,4-triazol-1-yl)ethanimine
PubChem CID54420429
Molecular FormulaC17H12Cl4N4O
Molecular Weight430.12 g/mol
Exact Mass427.98
IUPAC Name1-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methoxy]-2-(1,2,4-triazol-1-yl)ethanimine
SMILESClc1ccc(CON=C(Cn2cncn2)c2ccc(Cl)cc2Cl)c(Cl)c1
InChIInChI=1S/C17H12Cl4N4O/c18-12-2-1-11(15(20)5-12)8-26-24-17(7-25-10-22-9-23-25)14-4-3-13(19)6-16(14)21/h1-6,9-10H,7-8H2
InChIKeyWAKSGLQGVFUDGY-UHFFFAOYSA-N
XLogP5.51
TPSA52.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.12
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[(2,4-dichlorophenyl)methoxy]-2-(1,2,4-triazol-1-yl)ethanimidamide;hydrochloride
CID 131632842
azonic acid;1-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methoxy]-2-imidazol-1-ylethanimine
CID 159230946
acetic acid;(Z)-1-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methoxy]-2-imidazol-1-ylethanimine
CID 129184950
1-[2-(2,4-dichlorophenyl)prop-2-enyl]-1,2,4-triazole
CID 10587009
3-[(2,4-dichlorophenyl)methoxyimino]-2-phenyl-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 54562193
[1-amino-2-(1,2,4-triazol-1-yl)ethylidene]-[(2,4-dichlorophenyl)methoxy]azanium chloride
CID 2766524
(3E)-N-[[1-amino-2-(1,2,4-triazol-1-yl)ethylidene]amino]-3-[(2,4-dichlorophenyl)methoxyimino]propanamide
CID 98340587
(NZ)-N-[1-(2-chloro-4-methylphenyl)-2-(1,2,4-triazol-1-yl)ethylidene]hydroxylamine
CID 20514637
1-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 70382628
1-[(E)-2-chloro-2-(2,4-dichlorophenyl)ethenyl]-1,2,4-triazole
CID 50988829
N'-[(2,4-dichlorophenyl)methoxy]pyridine-4-carboximidamide
CID 3838866
2,4-dichloro-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
CID 47064609

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methoxy]-2-(1,2,4-triazol-1-yl)ethanimine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methoxy]-2-(1,2,4-triazol-1-yl)ethanimine (CID 54420429) is 1-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methoxy]-2-(1,2,4-triazol-1-yl)ethanimine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methoxy]-2-(1,2,4-triazol-1-yl)ethanimine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methoxy]-2-(1,2,4-triazol-1-yl)ethanimine is Clc1ccc(CON=C(Cn2cncn2)c2ccc(Cl)cc2Cl)c(Cl)c1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methoxy]-2-(1,2,4-triazol-1-yl)ethanimine?
The InChIKey is WAKSGLQGVFUDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl4N4O/c18-12-2-1-11(15(20)5-12)8-26-24-17(7-25-10-22-9-23-25)14-4-3-13(19)6-16(14)21/h1-6,9-10H,7-8H2.
What are the key properties of 1-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methoxy]-2-(1,2,4-triazol-1-yl)ethanimine?
1-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methoxy]-2-(1,2,4-triazol-1-yl)ethanimine has a molecular weight of 430.12 g/mol, XLogP of 5.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methoxy]-2-(1,2,4-triazol-1-yl)ethanimine is sourced from PubChem (CID 54420429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).