N-[(2,4-dichlorophenyl)methoxy]-2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethanimine

C16H13Cl2N5O — CID 3769643

IUPACN-[(2,4-dichlorophenyl)methoxy]-2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethanimine
SMILESClc1ccc(CON=CCc2nc(-c3cccnc3)n[nH]2)c(Cl)c1
InChIInChI=1S/C16H13Cl2N5O/c17-13-4-3-12(14(18)8-13)10-24-20-7-5-15-21-16(23-22-15)11-2-1-6-19-9-11/h1-4,6-9H,5,10H2,(H,21,22,23)
InChIKeyOYBNNMDMQQJUAW-UHFFFAOYSA-N
MW362.22 g/mol
LogP3.92
Rot. Bonds6

About N-[(2,4-dichlorophenyl)methoxy]-2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethanimine

N-[(2,4-dichlorophenyl)methoxy]-2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethanimine (PubChem CID 3769643) has the molecular formula C16H13Cl2N5O and a molecular weight of 362.22 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methoxy]-2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethanimine.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methoxy]-2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethanimine
PubChem CID3769643
Molecular FormulaC16H13Cl2N5O
Molecular Weight362.22 g/mol
Exact Mass361.05
IUPAC NameN-[(2,4-dichlorophenyl)methoxy]-2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethanimine
SMILESClc1ccc(CON=CCc2nc(-c3cccnc3)n[nH]2)c(Cl)c1
InChIInChI=1S/C16H13Cl2N5O/c17-13-4-3-12(14(18)8-13)10-24-20-7-5-15-21-16(23-22-15)11-2-1-6-19-9-11/h1-4,6-9H,5,10H2,(H,21,22,23)
InChIKeyOYBNNMDMQQJUAW-UHFFFAOYSA-N
XLogP3.92
TPSA76.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 53.92
H-Bond Donors ≤ 51
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'}

Analyze N-[(2,4-dichlorophenyl)methoxy]-2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethanimine 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 N-[(2,4-dichlorophenyl)methoxy]-2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethanimine?
The IUPAC name of N-[(2,4-dichlorophenyl)methoxy]-2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethanimine (CID 3769643) is N-[(2,4-dichlorophenyl)methoxy]-2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethanimine.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methoxy]-2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethanimine?
The canonical SMILES for N-[(2,4-dichlorophenyl)methoxy]-2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethanimine is Clc1ccc(CON=CCc2nc(-c3cccnc3)n[nH]2)c(Cl)c1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methoxy]-2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethanimine?
The InChIKey is OYBNNMDMQQJUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N5O/c17-13-4-3-12(14(18)8-13)10-24-20-7-5-15-21-16(23-22-15)11-2-1-6-19-9-11/h1-4,6-9H,5,10H2,(H,21,22,23).
What are the key properties of N-[(2,4-dichlorophenyl)methoxy]-2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethanimine?
N-[(2,4-dichlorophenyl)methoxy]-2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethanimine has a molecular weight of 362.22 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methoxy]-2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethanimine is sourced from PubChem (CID 3769643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).