1-[(E)-2-chloro-2-(2,4-dichlorophenyl)ethenyl]-1,2,4-triazole

C10H6Cl3N3 — CID 50988829

IUPAC1-[(E)-2-chloro-2-(2,4-dichlorophenyl)ethenyl]-1,2,4-triazole
SMILESCl/C(=C/n1cncn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H6Cl3N3/c11-7-1-2-8(9(12)3-7)10(13)4-16-6-14-5-15-16/h1-6H/b10-4+
InChIKeyXGLHZTBDUXXHOM-ONNFQVAWSA-N
MW274.54 g/mol
LogP3.78
Rot. Bonds2

About 1-[(E)-2-chloro-2-(2,4-dichlorophenyl)ethenyl]-1,2,4-triazole

1-[(E)-2-chloro-2-(2,4-dichlorophenyl)ethenyl]-1,2,4-triazole (PubChem CID 50988829) has the molecular formula C10H6Cl3N3 and a molecular weight of 274.54 g/mol. Its IUPAC name is 1-[(E)-2-chloro-2-(2,4-dichlorophenyl)ethenyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[(E)-2-chloro-2-(2,4-dichlorophenyl)ethenyl]-1,2,4-triazole
PubChem CID50988829
Molecular FormulaC10H6Cl3N3
Molecular Weight274.54 g/mol
Exact Mass272.96
IUPAC Name1-[(E)-2-chloro-2-(2,4-dichlorophenyl)ethenyl]-1,2,4-triazole
SMILESCl/C(=C/n1cncn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H6Cl3N3/c11-7-1-2-8(9(12)3-7)10(13)4-16-6-14-5-15-16/h1-6H/b10-4+
InChIKeyXGLHZTBDUXXHOM-ONNFQVAWSA-N
XLogP3.78
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.54
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dichlorophenyl)-N-methoxy-2-(1,2,4-triazol-1-yl)ethenamine
CID 57015366
1-[(Z)-2-(2,4-dichlorophenyl)-2-ethoxyethenyl]-1,2,4-triazole
CID 70539608
[1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethenyl] acetate
CID 139894512
1-[2-(2,4-dichlorophenyl)-2-pentan-2-yloxyethenyl]-1,2,4-triazole
CID 70537048
1-[2-(2,4-dichlorophenyl)prop-2-enyl]-1,2,4-triazole
CID 10587009
1-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methoxy]-2-(1,2,4-triazol-1-yl)ethanimine
CID 54420429
(Z)-1-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-N-(1,2,4-triazol-1-yl)methanimine
CID 19994943
[2,2,2-tribromo-1-(1,2,4-triazol-1-yl)ethyl] 2,4-dichlorobenzoate
CID 56692672
2,4-dichloro-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 16574178
(Z)-1-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-2-(1,2,4-triazol-1-yl)prop-2-en-1-one
CID 7218890
1-[2-[1-(4-chlorophenyl)ethyl]-3,3-dimethylbut-1-enyl]-1,2,4-triazole
CID 67727006
1-[(E)-2-(2,4-dichlorophenyl)-3,3-dimethylbut-1-enyl]imidazole
CID 70462372

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-chloro-2-(2,4-dichlorophenyl)ethenyl]-1,2,4-triazole?
The IUPAC name of 1-[(E)-2-chloro-2-(2,4-dichlorophenyl)ethenyl]-1,2,4-triazole (CID 50988829) is 1-[(E)-2-chloro-2-(2,4-dichlorophenyl)ethenyl]-1,2,4-triazole.
What is the SMILES notation for 1-[(E)-2-chloro-2-(2,4-dichlorophenyl)ethenyl]-1,2,4-triazole?
The canonical SMILES for 1-[(E)-2-chloro-2-(2,4-dichlorophenyl)ethenyl]-1,2,4-triazole is Cl/C(=C/n1cncn1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[(E)-2-chloro-2-(2,4-dichlorophenyl)ethenyl]-1,2,4-triazole?
The InChIKey is XGLHZTBDUXXHOM-ONNFQVAWSA-N. The full InChI is InChI=1S/C10H6Cl3N3/c11-7-1-2-8(9(12)3-7)10(13)4-16-6-14-5-15-16/h1-6H/b10-4+.
What are the key properties of 1-[(E)-2-chloro-2-(2,4-dichlorophenyl)ethenyl]-1,2,4-triazole?
1-[(E)-2-chloro-2-(2,4-dichlorophenyl)ethenyl]-1,2,4-triazole has a molecular weight of 274.54 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-chloro-2-(2,4-dichlorophenyl)ethenyl]-1,2,4-triazole is sourced from PubChem (CID 50988829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).