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

C15H10Cl2FN3 — CID 11587817

IUPAC3-(2-chloro-4-fluorophenyl)-5-(2-chlorophenyl)-4-methyl-1,2,4-triazole
SMILESCn1c(-c2ccccc2Cl)nnc1-c1ccc(F)cc1Cl
InChIInChI=1S/C15H10Cl2FN3/c1-21-14(10-4-2-3-5-12(10)16)19-20-15(21)11-7-6-9(18)8-13(11)17/h2-8H,1H3
InChIKeyIYJZNIQXCCQOQI-UHFFFAOYSA-N
MW322.17 g/mol
LogP4.59
Rot. Bonds2

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

3-(2-chloro-4-fluorophenyl)-5-(2-chlorophenyl)-4-methyl-1,2,4-triazole (PubChem CID 11587817) has the molecular formula C15H10Cl2FN3 and a molecular weight of 322.17 g/mol. Its IUPAC name is 3-(2-chloro-4-fluorophenyl)-5-(2-chlorophenyl)-4-methyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(2-chloro-4-fluorophenyl)-5-(2-chlorophenyl)-4-methyl-1,2,4-triazole
PubChem CID11587817
Molecular FormulaC15H10Cl2FN3
Molecular Weight322.17 g/mol
Exact Mass321.02
IUPAC Name3-(2-chloro-4-fluorophenyl)-5-(2-chlorophenyl)-4-methyl-1,2,4-triazole
SMILESCn1c(-c2ccccc2Cl)nnc1-c1ccc(F)cc1Cl
InChIInChI=1S/C15H10Cl2FN3/c1-21-14(10-4-2-3-5-12(10)16)19-20-15(21)11-7-6-9(18)8-13(11)17/h2-8H,1H3
InChIKeyIYJZNIQXCCQOQI-UHFFFAOYSA-N
XLogP4.59
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.17
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-fluorophenyl)-5-(2-chlorophenyl)-4-methyl-1,2,4-triazole?
The IUPAC name of 3-(2-chloro-4-fluorophenyl)-5-(2-chlorophenyl)-4-methyl-1,2,4-triazole (CID 11587817) is 3-(2-chloro-4-fluorophenyl)-5-(2-chlorophenyl)-4-methyl-1,2,4-triazole.
What is the SMILES notation for 3-(2-chloro-4-fluorophenyl)-5-(2-chlorophenyl)-4-methyl-1,2,4-triazole?
The canonical SMILES for 3-(2-chloro-4-fluorophenyl)-5-(2-chlorophenyl)-4-methyl-1,2,4-triazole is Cn1c(-c2ccccc2Cl)nnc1-c1ccc(F)cc1Cl.
What is the InChIKey of 3-(2-chloro-4-fluorophenyl)-5-(2-chlorophenyl)-4-methyl-1,2,4-triazole?
The InChIKey is IYJZNIQXCCQOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2FN3/c1-21-14(10-4-2-3-5-12(10)16)19-20-15(21)11-7-6-9(18)8-13(11)17/h2-8H,1H3.
What are the key properties of 3-(2-chloro-4-fluorophenyl)-5-(2-chlorophenyl)-4-methyl-1,2,4-triazole?
3-(2-chloro-4-fluorophenyl)-5-(2-chlorophenyl)-4-methyl-1,2,4-triazole has a molecular weight of 322.17 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-fluorophenyl)-5-(2-chlorophenyl)-4-methyl-1,2,4-triazole is sourced from PubChem (CID 11587817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).