1-[(3,5-dichlorophenyl)methyl]triazole

C9H7Cl2N3 — CID 167791841

IUPAC1-[(3,5-dichlorophenyl)methyl]triazole
SMILESClc1cc(Cl)cc(Cn2ccnn2)c1
InChIInChI=1S/C9H7Cl2N3/c10-8-3-7(4-9(11)5-8)6-14-2-1-12-13-14/h1-5H,6H2
InChIKeyAWTORVIEJCUGHJ-UHFFFAOYSA-N
MW228.08 g/mol
LogP2.63
Rot. Bonds2

About 1-[(3,5-dichlorophenyl)methyl]triazole

1-[(3,5-dichlorophenyl)methyl]triazole (PubChem CID 167791841) has the molecular formula C9H7Cl2N3 and a molecular weight of 228.08 g/mol. Its IUPAC name is 1-[(3,5-dichlorophenyl)methyl]triazole.

Molecular Properties

Compound Name1-[(3,5-dichlorophenyl)methyl]triazole
PubChem CID167791841
Molecular FormulaC9H7Cl2N3
Molecular Weight228.08 g/mol
Exact Mass227.00
IUPAC Name1-[(3,5-dichlorophenyl)methyl]triazole
SMILESClc1cc(Cl)cc(Cn2ccnn2)c1
InChIInChI=1S/C9H7Cl2N3/c10-8-3-7(4-9(11)5-8)6-14-2-1-12-13-14/h1-5H,6H2
InChIKeyAWTORVIEJCUGHJ-UHFFFAOYSA-N
XLogP2.63
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.08
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dichlorophenyl)methyl]triazole?
The IUPAC name of 1-[(3,5-dichlorophenyl)methyl]triazole (CID 167791841) is 1-[(3,5-dichlorophenyl)methyl]triazole.
What is the SMILES notation for 1-[(3,5-dichlorophenyl)methyl]triazole?
The canonical SMILES for 1-[(3,5-dichlorophenyl)methyl]triazole is Clc1cc(Cl)cc(Cn2ccnn2)c1.
What is the InChIKey of 1-[(3,5-dichlorophenyl)methyl]triazole?
The InChIKey is AWTORVIEJCUGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N3/c10-8-3-7(4-9(11)5-8)6-14-2-1-12-13-14/h1-5H,6H2.
What are the key properties of 1-[(3,5-dichlorophenyl)methyl]triazole?
1-[(3,5-dichlorophenyl)methyl]triazole has a molecular weight of 228.08 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dichlorophenyl)methyl]triazole is sourced from PubChem (CID 167791841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).