3-chloro-4-(4-chlorophenyl)-5-ethyl-1,2,4-triazole

C10H9Cl2N3 — CID 63384967

IUPAC3-chloro-4-(4-chlorophenyl)-5-ethyl-1,2,4-triazole
SMILESCCc1nnc(Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C10H9Cl2N3/c1-2-9-13-14-10(12)15(9)8-5-3-7(11)4-6-8/h3-6H,2H2,1H3
InChIKeyLIHXGFQZEPGJLP-UHFFFAOYSA-N
MW242.11 g/mol
LogP3.14
Rot. Bonds2

About 3-chloro-4-(4-chlorophenyl)-5-ethyl-1,2,4-triazole

3-chloro-4-(4-chlorophenyl)-5-ethyl-1,2,4-triazole (PubChem CID 63384967) has the molecular formula C10H9Cl2N3 and a molecular weight of 242.11 g/mol. Its IUPAC name is 3-chloro-4-(4-chlorophenyl)-5-ethyl-1,2,4-triazole.

Molecular Properties

Compound Name3-chloro-4-(4-chlorophenyl)-5-ethyl-1,2,4-triazole
PubChem CID63384967
Molecular FormulaC10H9Cl2N3
Molecular Weight242.11 g/mol
Exact Mass241.02
IUPAC Name3-chloro-4-(4-chlorophenyl)-5-ethyl-1,2,4-triazole
SMILESCCc1nnc(Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C10H9Cl2N3/c1-2-9-13-14-10(12)15(9)8-5-3-7(11)4-6-8/h3-6H,2H2,1H3
InChIKeyLIHXGFQZEPGJLP-UHFFFAOYSA-N
XLogP3.14
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.11
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(4-chlorophenyl)-5-ethyl-1,2,4-triazole?
The IUPAC name of 3-chloro-4-(4-chlorophenyl)-5-ethyl-1,2,4-triazole (CID 63384967) is 3-chloro-4-(4-chlorophenyl)-5-ethyl-1,2,4-triazole.
What is the SMILES notation for 3-chloro-4-(4-chlorophenyl)-5-ethyl-1,2,4-triazole?
The canonical SMILES for 3-chloro-4-(4-chlorophenyl)-5-ethyl-1,2,4-triazole is CCc1nnc(Cl)n1-c1ccc(Cl)cc1.
What is the InChIKey of 3-chloro-4-(4-chlorophenyl)-5-ethyl-1,2,4-triazole?
The InChIKey is LIHXGFQZEPGJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3/c1-2-9-13-14-10(12)15(9)8-5-3-7(11)4-6-8/h3-6H,2H2,1H3.
What are the key properties of 3-chloro-4-(4-chlorophenyl)-5-ethyl-1,2,4-triazole?
3-chloro-4-(4-chlorophenyl)-5-ethyl-1,2,4-triazole has a molecular weight of 242.11 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(4-chlorophenyl)-5-ethyl-1,2,4-triazole is sourced from PubChem (CID 63384967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).