4-chloro-1-(4-chlorophenyl)-5-methyltriazole

C9H7Cl2N3 — CID 177125096

IUPAC4-chloro-1-(4-chlorophenyl)-5-methyltriazole
SMILESCc1c(Cl)nnn1-c1ccc(Cl)cc1
InChIInChI=1S/C9H7Cl2N3/c1-6-9(11)12-13-14(6)8-4-2-7(10)3-5-8/h2-5H,1H3
InChIKeyQTKZKVHDLZWTRA-UHFFFAOYSA-N
MW228.08 g/mol
LogP2.88
Rot. Bonds1

About 4-chloro-1-(4-chlorophenyl)-5-methyltriazole

4-chloro-1-(4-chlorophenyl)-5-methyltriazole (PubChem CID 177125096) has the molecular formula C9H7Cl2N3 and a molecular weight of 228.08 g/mol. Its IUPAC name is 4-chloro-1-(4-chlorophenyl)-5-methyltriazole.

Molecular Properties

Compound Name4-chloro-1-(4-chlorophenyl)-5-methyltriazole
PubChem CID177125096
Molecular FormulaC9H7Cl2N3
Molecular Weight228.08 g/mol
Exact Mass227.00
IUPAC Name4-chloro-1-(4-chlorophenyl)-5-methyltriazole
SMILESCc1c(Cl)nnn1-c1ccc(Cl)cc1
InChIInChI=1S/C9H7Cl2N3/c1-6-9(11)12-13-14(6)8-4-2-7(10)3-5-8/h2-5H,1H3
InChIKeyQTKZKVHDLZWTRA-UHFFFAOYSA-N
XLogP2.88
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.08
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(4-chlorophenyl)-5-methyltriazole?
The IUPAC name of 4-chloro-1-(4-chlorophenyl)-5-methyltriazole (CID 177125096) is 4-chloro-1-(4-chlorophenyl)-5-methyltriazole.
What is the SMILES notation for 4-chloro-1-(4-chlorophenyl)-5-methyltriazole?
The canonical SMILES for 4-chloro-1-(4-chlorophenyl)-5-methyltriazole is Cc1c(Cl)nnn1-c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-1-(4-chlorophenyl)-5-methyltriazole?
The InChIKey is QTKZKVHDLZWTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N3/c1-6-9(11)12-13-14(6)8-4-2-7(10)3-5-8/h2-5H,1H3.
What are the key properties of 4-chloro-1-(4-chlorophenyl)-5-methyltriazole?
4-chloro-1-(4-chlorophenyl)-5-methyltriazole has a molecular weight of 228.08 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(4-chlorophenyl)-5-methyltriazole is sourced from PubChem (CID 177125096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).