1-(3,4-dichlorophenyl)-4-ethenyltriazole

C10H7Cl2N3 — CID 53473130

IUPAC1-(3,4-dichlorophenyl)-4-ethenyltriazole
SMILESC=Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1
InChIInChI=1S/C10H7Cl2N3/c1-2-7-6-15(14-13-7)8-3-4-9(11)10(12)5-8/h2-6H,1H2
InChIKeyLBLHZTKXKDLRGG-UHFFFAOYSA-N
MW240.09 g/mol
LogP3.22
Rot. Bonds2

About 1-(3,4-dichlorophenyl)-4-ethenyltriazole

1-(3,4-dichlorophenyl)-4-ethenyltriazole (PubChem CID 53473130) has the molecular formula C10H7Cl2N3 and a molecular weight of 240.09 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-4-ethenyltriazole.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-4-ethenyltriazole
PubChem CID53473130
Molecular FormulaC10H7Cl2N3
Molecular Weight240.09 g/mol
Exact Mass239.00
IUPAC Name1-(3,4-dichlorophenyl)-4-ethenyltriazole
SMILESC=Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1
InChIInChI=1S/C10H7Cl2N3/c1-2-7-6-15(14-13-7)8-3-4-9(11)10(12)5-8/h2-6H,1H2
InChIKeyLBLHZTKXKDLRGG-UHFFFAOYSA-N
XLogP3.22
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.09
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-4-ethenyltriazole?
The IUPAC name of 1-(3,4-dichlorophenyl)-4-ethenyltriazole (CID 53473130) is 1-(3,4-dichlorophenyl)-4-ethenyltriazole.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-4-ethenyltriazole?
The canonical SMILES for 1-(3,4-dichlorophenyl)-4-ethenyltriazole is C=Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-4-ethenyltriazole?
The InChIKey is LBLHZTKXKDLRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3/c1-2-7-6-15(14-13-7)8-3-4-9(11)10(12)5-8/h2-6H,1H2.
What are the key properties of 1-(3,4-dichlorophenyl)-4-ethenyltriazole?
1-(3,4-dichlorophenyl)-4-ethenyltriazole has a molecular weight of 240.09 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-4-ethenyltriazole is sourced from PubChem (CID 53473130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).