1-(2,4-dichlorophenyl)-N-methoxy-2-(1,2,4-triazol-1-yl)ethenamine

C11H10Cl2N4O — CID 57015366

IUPAC1-(2,4-dichlorophenyl)-N-methoxy-2-(1,2,4-triazol-1-yl)ethenamine
SMILESCONC(=Cn1cncn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H10Cl2N4O/c1-18-16-11(5-17-7-14-6-15-17)9-3-2-8(12)4-10(9)13/h2-7,16H,1H3
InChIKeyYBKDIYUIIDNHIJ-UHFFFAOYSA-N
MW285.13 g/mol
LogP2.69
Rot. Bonds4

About 1-(2,4-dichlorophenyl)-N-methoxy-2-(1,2,4-triazol-1-yl)ethenamine

1-(2,4-dichlorophenyl)-N-methoxy-2-(1,2,4-triazol-1-yl)ethenamine (PubChem CID 57015366) has the molecular formula C11H10Cl2N4O and a molecular weight of 285.13 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-methoxy-2-(1,2,4-triazol-1-yl)ethenamine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-methoxy-2-(1,2,4-triazol-1-yl)ethenamine
PubChem CID57015366
Molecular FormulaC11H10Cl2N4O
Molecular Weight285.13 g/mol
Exact Mass284.02
IUPAC Name1-(2,4-dichlorophenyl)-N-methoxy-2-(1,2,4-triazol-1-yl)ethenamine
SMILESCONC(=Cn1cncn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H10Cl2N4O/c1-18-16-11(5-17-7-14-6-15-17)9-3-2-8(12)4-10(9)13/h2-7,16H,1H3
InChIKeyYBKDIYUIIDNHIJ-UHFFFAOYSA-N
XLogP2.69
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(Z)-2-(2,4-dichlorophenyl)-2-ethoxyethenyl]-1,2,4-triazole
CID 70539608
1-[(E)-2-chloro-2-(2,4-dichlorophenyl)ethenyl]-1,2,4-triazole
CID 50988829
[1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethenyl] acetate
CID 139894512
1-(2-chlorophenyl)-2-(1,2,4-triazol-1-yl)-N-[(2,4,6-trimethylphenyl)methoxy]ethenamine
CID 57057089
1-[2-(2,4-dichlorophenyl)-2-pentan-2-yloxyethenyl]-1,2,4-triazole
CID 70537048
(Z)-1-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-2-(1,2,4-triazol-1-yl)prop-2-en-1-one
CID 7218890
1-[2-(2,4-dichlorophenyl)prop-2-enyl]-1,2,4-triazole
CID 10587009
2,4-dichloro-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 16574178
1-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methoxy]-2-(1,2,4-triazol-1-yl)ethanimine
CID 54420429
[2,2,2-tribromo-1-(1,2,4-triazol-1-yl)ethyl] 2,4-dichlorobenzoate
CID 56692672
4-(4-chlorophenoxy)-1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)pentane-1,3-dione
CID 23625915
(Z)-1-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-N-(1,2,4-triazol-1-yl)methanimine
CID 19994943

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-methoxy-2-(1,2,4-triazol-1-yl)ethenamine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-methoxy-2-(1,2,4-triazol-1-yl)ethenamine (CID 57015366) is 1-(2,4-dichlorophenyl)-N-methoxy-2-(1,2,4-triazol-1-yl)ethenamine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-methoxy-2-(1,2,4-triazol-1-yl)ethenamine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-methoxy-2-(1,2,4-triazol-1-yl)ethenamine is CONC(=Cn1cncn1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-methoxy-2-(1,2,4-triazol-1-yl)ethenamine?
The InChIKey is YBKDIYUIIDNHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4O/c1-18-16-11(5-17-7-14-6-15-17)9-3-2-8(12)4-10(9)13/h2-7,16H,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-N-methoxy-2-(1,2,4-triazol-1-yl)ethenamine?
1-(2,4-dichlorophenyl)-N-methoxy-2-(1,2,4-triazol-1-yl)ethenamine has a molecular weight of 285.13 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-methoxy-2-(1,2,4-triazol-1-yl)ethenamine is sourced from PubChem (CID 57015366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).