3-(3,5-dichlorophenyl)-4-ethyl-1,2,4-triazole

C10H9Cl2N3 — CID 115394797

IUPAC3-(3,5-dichlorophenyl)-4-ethyl-1,2,4-triazole
SMILESCCn1cnnc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H9Cl2N3/c1-2-15-6-13-14-10(15)7-3-8(11)5-9(12)4-7/h3-6H,2H2,1H3
InChIKeyRMDIBEBTNGSMLA-UHFFFAOYSA-N
MW242.11 g/mol
LogP3.27
Rot. Bonds2

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

3-(3,5-dichlorophenyl)-4-ethyl-1,2,4-triazole (PubChem CID 115394797) has the molecular formula C10H9Cl2N3 and a molecular weight of 242.11 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-4-ethyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)-4-ethyl-1,2,4-triazole
PubChem CID115394797
Molecular FormulaC10H9Cl2N3
Molecular Weight242.11 g/mol
Exact Mass241.02
IUPAC Name3-(3,5-dichlorophenyl)-4-ethyl-1,2,4-triazole
SMILESCCn1cnnc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H9Cl2N3/c1-2-15-6-13-14-10(15)7-3-8(11)5-9(12)4-7/h3-6H,2H2,1H3
InChIKeyRMDIBEBTNGSMLA-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)-4-ethyl-1,2,4-triazole?
The IUPAC name of 3-(3,5-dichlorophenyl)-4-ethyl-1,2,4-triazole (CID 115394797) is 3-(3,5-dichlorophenyl)-4-ethyl-1,2,4-triazole.
What is the SMILES notation for 3-(3,5-dichlorophenyl)-4-ethyl-1,2,4-triazole?
The canonical SMILES for 3-(3,5-dichlorophenyl)-4-ethyl-1,2,4-triazole is CCn1cnnc1-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3-(3,5-dichlorophenyl)-4-ethyl-1,2,4-triazole?
The InChIKey is RMDIBEBTNGSMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3/c1-2-15-6-13-14-10(15)7-3-8(11)5-9(12)4-7/h3-6H,2H2,1H3.
What are the key properties of 3-(3,5-dichlorophenyl)-4-ethyl-1,2,4-triazole?
3-(3,5-dichlorophenyl)-4-ethyl-1,2,4-triazole has a molecular weight of 242.11 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)-4-ethyl-1,2,4-triazole is sourced from PubChem (CID 115394797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).