3-(2,3-dichlorophenyl)-4-[(2,3-dichlorophenyl)methyl]-1,2,4-triazole

C15H9Cl4N3 — CID 16678288

IUPAC3-(2,3-dichlorophenyl)-4-[(2,3-dichlorophenyl)methyl]-1,2,4-triazole
SMILESClc1cccc(Cn2cnnc2-c2cccc(Cl)c2Cl)c1Cl
InChIInChI=1S/C15H9Cl4N3/c16-11-5-1-3-9(13(11)18)7-22-8-20-21-15(22)10-4-2-6-12(17)14(10)19/h1-6,8H,7H2
InChIKeyOTOGPYFULGVCRR-UHFFFAOYSA-N
MW373.07 g/mol
LogP5.61
Rot. Bonds3

About 3-(2,3-dichlorophenyl)-4-[(2,3-dichlorophenyl)methyl]-1,2,4-triazole

3-(2,3-dichlorophenyl)-4-[(2,3-dichlorophenyl)methyl]-1,2,4-triazole (PubChem CID 16678288) has the molecular formula C15H9Cl4N3 and a molecular weight of 373.07 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-4-[(2,3-dichlorophenyl)methyl]-1,2,4-triazole.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-4-[(2,3-dichlorophenyl)methyl]-1,2,4-triazole
PubChem CID16678288
Molecular FormulaC15H9Cl4N3
Molecular Weight373.07 g/mol
Exact Mass370.96
IUPAC Name3-(2,3-dichlorophenyl)-4-[(2,3-dichlorophenyl)methyl]-1,2,4-triazole
SMILESClc1cccc(Cn2cnnc2-c2cccc(Cl)c2Cl)c1Cl
InChIInChI=1S/C15H9Cl4N3/c16-11-5-1-3-9(13(11)18)7-22-8-20-21-15(22)10-4-2-6-12(17)14(10)19/h1-6,8H,7H2
InChIKeyOTOGPYFULGVCRR-UHFFFAOYSA-N
XLogP5.61
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.07
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-4-[(2,3-dichlorophenyl)methyl]-1,2,4-triazole?
The IUPAC name of 3-(2,3-dichlorophenyl)-4-[(2,3-dichlorophenyl)methyl]-1,2,4-triazole (CID 16678288) is 3-(2,3-dichlorophenyl)-4-[(2,3-dichlorophenyl)methyl]-1,2,4-triazole.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-4-[(2,3-dichlorophenyl)methyl]-1,2,4-triazole?
The canonical SMILES for 3-(2,3-dichlorophenyl)-4-[(2,3-dichlorophenyl)methyl]-1,2,4-triazole is Clc1cccc(Cn2cnnc2-c2cccc(Cl)c2Cl)c1Cl.
What is the InChIKey of 3-(2,3-dichlorophenyl)-4-[(2,3-dichlorophenyl)methyl]-1,2,4-triazole?
The InChIKey is OTOGPYFULGVCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl4N3/c16-11-5-1-3-9(13(11)18)7-22-8-20-21-15(22)10-4-2-6-12(17)14(10)19/h1-6,8H,7H2.
What are the key properties of 3-(2,3-dichlorophenyl)-4-[(2,3-dichlorophenyl)methyl]-1,2,4-triazole?
3-(2,3-dichlorophenyl)-4-[(2,3-dichlorophenyl)methyl]-1,2,4-triazole has a molecular weight of 373.07 g/mol, XLogP of 5.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-4-[(2,3-dichlorophenyl)methyl]-1,2,4-triazole is sourced from PubChem (CID 16678288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).