1-[(Z)-2-(2,4-dichlorophenyl)-2-ethoxyethenyl]-1,2,4-triazole

C12H11Cl2N3O — CID 70539608

IUPAC1-[(Z)-2-(2,4-dichlorophenyl)-2-ethoxyethenyl]-1,2,4-triazole
SMILESCCO/C(=C\n1cncn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H11Cl2N3O/c1-2-18-12(6-17-8-15-7-16-17)10-4-3-9(13)5-11(10)14/h3-8H,2H2,1H3/b12-6-
InChIKeyLPHNCSSRNIUADC-SDQBBNPISA-N
MW284.15 g/mol
LogP3.58
Rot. Bonds4

About 1-[(Z)-2-(2,4-dichlorophenyl)-2-ethoxyethenyl]-1,2,4-triazole

1-[(Z)-2-(2,4-dichlorophenyl)-2-ethoxyethenyl]-1,2,4-triazole (PubChem CID 70539608) has the molecular formula C12H11Cl2N3O and a molecular weight of 284.15 g/mol. Its IUPAC name is 1-[(Z)-2-(2,4-dichlorophenyl)-2-ethoxyethenyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[(Z)-2-(2,4-dichlorophenyl)-2-ethoxyethenyl]-1,2,4-triazole
PubChem CID70539608
Molecular FormulaC12H11Cl2N3O
Molecular Weight284.15 g/mol
Exact Mass283.03
IUPAC Name1-[(Z)-2-(2,4-dichlorophenyl)-2-ethoxyethenyl]-1,2,4-triazole
SMILESCCO/C(=C\n1cncn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H11Cl2N3O/c1-2-18-12(6-17-8-15-7-16-17)10-4-3-9(13)5-11(10)14/h3-8H,2H2,1H3/b12-6-
InChIKeyLPHNCSSRNIUADC-SDQBBNPISA-N
XLogP3.58
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-(2,4-dichlorophenyl)-2-ethoxyethenyl]-1,2,4-triazole?
The IUPAC name of 1-[(Z)-2-(2,4-dichlorophenyl)-2-ethoxyethenyl]-1,2,4-triazole (CID 70539608) is 1-[(Z)-2-(2,4-dichlorophenyl)-2-ethoxyethenyl]-1,2,4-triazole.
What is the SMILES notation for 1-[(Z)-2-(2,4-dichlorophenyl)-2-ethoxyethenyl]-1,2,4-triazole?
The canonical SMILES for 1-[(Z)-2-(2,4-dichlorophenyl)-2-ethoxyethenyl]-1,2,4-triazole is CCO/C(=C\n1cncn1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[(Z)-2-(2,4-dichlorophenyl)-2-ethoxyethenyl]-1,2,4-triazole?
The InChIKey is LPHNCSSRNIUADC-SDQBBNPISA-N. The full InChI is InChI=1S/C12H11Cl2N3O/c1-2-18-12(6-17-8-15-7-16-17)10-4-3-9(13)5-11(10)14/h3-8H,2H2,1H3/b12-6-.
What are the key properties of 1-[(Z)-2-(2,4-dichlorophenyl)-2-ethoxyethenyl]-1,2,4-triazole?
1-[(Z)-2-(2,4-dichlorophenyl)-2-ethoxyethenyl]-1,2,4-triazole has a molecular weight of 284.15 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-(2,4-dichlorophenyl)-2-ethoxyethenyl]-1,2,4-triazole is sourced from PubChem (CID 70539608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).