2-[3-[2-(2,4-dichlorophenoxy)phenyl]triazol-4-yl]-N,N-dimethylaniline

C22H18Cl2N4O — CID 86346141

IUPAC2-[3-[2-(2,4-dichlorophenoxy)phenyl]triazol-4-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccccc1-c1cnnn1-c1ccccc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C22H18Cl2N4O/c1-27(2)18-8-4-3-7-16(18)20-14-25-26-28(20)19-9-5-6-10-22(19)29-21-12-11-15(23)13-17(21)24/h3-14H,1-2H3
InChIKeyUUSLJCZUBMYZFS-UHFFFAOYSA-N
MW425.32 g/mol
LogP6.10
Rot. Bonds5

About 2-[3-[2-(2,4-dichlorophenoxy)phenyl]triazol-4-yl]-N,N-dimethylaniline

2-[3-[2-(2,4-dichlorophenoxy)phenyl]triazol-4-yl]-N,N-dimethylaniline (PubChem CID 86346141) has the molecular formula C22H18Cl2N4O and a molecular weight of 425.32 g/mol. Its IUPAC name is 2-[3-[2-(2,4-dichlorophenoxy)phenyl]triazol-4-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name2-[3-[2-(2,4-dichlorophenoxy)phenyl]triazol-4-yl]-N,N-dimethylaniline
PubChem CID86346141
Molecular FormulaC22H18Cl2N4O
Molecular Weight425.32 g/mol
Exact Mass424.09
IUPAC Name2-[3-[2-(2,4-dichlorophenoxy)phenyl]triazol-4-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccccc1-c1cnnn1-c1ccccc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C22H18Cl2N4O/c1-27(2)18-8-4-3-7-16(18)20-14-25-26-28(20)19-9-5-6-10-22(19)29-21-12-11-15(23)13-17(21)24/h3-14H,1-2H3
InChIKeyUUSLJCZUBMYZFS-UHFFFAOYSA-N
XLogP6.10
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.32
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Chloro-3-[[4-[(2-chlorophenoxy)methyl]triazol-1-yl]methyl]quinoline
CID 162650759
1-[2-(2,4-Dichlorophenoxy)phenyl]-5-methyl-4-phenyltriazole
CID 2805131
[2-(2,4-Dichlorophenoxy)phenyl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)diazene
CID 2805129
1-[2-(2,4-Dichlorophenoxy)phenyl]-5-(3,4-difluorophenyl)triazole
CID 86345996
1-[2-(2,4-Dichlorophenoxy)phenyl]-5-(3-fluorophenyl)triazole
CID 86346042
1-[2-(2,4-Dichlorophenoxy)phenyl]-5-(4-fluorophenyl)triazole
CID 86346043
1-[2-(2,4-Dichlorophenoxy)phenyl]-5-(2,4-difluorophenyl)triazole
CID 86346046
4-(2-Chloro-4-fluorophenoxy)-3-[5-(2-chlorophenyl)triazol-1-yl]pyridine
CID 86346146
2-[4-Chloro-2-[5-[3-(trifluoromethyl)phenyl]triazol-1-yl]phenoxy]acetonitrile;ethane
CID 143723773
1H-1,2,3-Triazole, 1-[2-(2,4-dichlorophenoxy)phenyl]-5-phenyl-
CID 2805134
2,6-Bis(4-chlorophenyl)-4-(1-(2-methoxyphenyl)-1h-1,2,3-triazol-4-yl)pyridine
CID 129769125
1-[2-(3-Chloro-4-fluorophenoxy)phenyl]-5-phenyltriazole
CID 86345994

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(2,4-dichlorophenoxy)phenyl]triazol-4-yl]-N,N-dimethylaniline?
The IUPAC name of 2-[3-[2-(2,4-dichlorophenoxy)phenyl]triazol-4-yl]-N,N-dimethylaniline (CID 86346141) is 2-[3-[2-(2,4-dichlorophenoxy)phenyl]triazol-4-yl]-N,N-dimethylaniline.
What is the SMILES notation for 2-[3-[2-(2,4-dichlorophenoxy)phenyl]triazol-4-yl]-N,N-dimethylaniline?
The canonical SMILES for 2-[3-[2-(2,4-dichlorophenoxy)phenyl]triazol-4-yl]-N,N-dimethylaniline is CN(C)c1ccccc1-c1cnnn1-c1ccccc1Oc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[3-[2-(2,4-dichlorophenoxy)phenyl]triazol-4-yl]-N,N-dimethylaniline?
The InChIKey is UUSLJCZUBMYZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N4O/c1-27(2)18-8-4-3-7-16(18)20-14-25-26-28(20)19-9-5-6-10-22(19)29-21-12-11-15(23)13-17(21)24/h3-14H,1-2H3.
What are the key properties of 2-[3-[2-(2,4-dichlorophenoxy)phenyl]triazol-4-yl]-N,N-dimethylaniline?
2-[3-[2-(2,4-dichlorophenoxy)phenyl]triazol-4-yl]-N,N-dimethylaniline has a molecular weight of 425.32 g/mol, XLogP of 6.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(2,4-dichlorophenoxy)phenyl]triazol-4-yl]-N,N-dimethylaniline is sourced from PubChem (CID 86346141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).