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

C15H11Cl2N3 — CID 11659479

IUPAC3,5-bis(2-chlorophenyl)-4-methyl-1,2,4-triazole
SMILESCn1c(-c2ccccc2Cl)nnc1-c1ccccc1Cl
InChIInChI=1S/C15H11Cl2N3/c1-20-14(10-6-2-4-8-12(10)16)18-19-15(20)11-7-3-5-9-13(11)17/h2-9H,1H3
InChIKeySKWYKJHAARIWNY-UHFFFAOYSA-N
MW304.18 g/mol
LogP4.46
Rot. Bonds2

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

3,5-bis(2-chlorophenyl)-4-methyl-1,2,4-triazole (PubChem CID 11659479) has the molecular formula C15H11Cl2N3 and a molecular weight of 304.18 g/mol. Its IUPAC name is 3,5-bis(2-chlorophenyl)-4-methyl-1,2,4-triazole.

Molecular Properties

Compound Name3,5-bis(2-chlorophenyl)-4-methyl-1,2,4-triazole
PubChem CID11659479
Molecular FormulaC15H11Cl2N3
Molecular Weight304.18 g/mol
Exact Mass303.03
IUPAC Name3,5-bis(2-chlorophenyl)-4-methyl-1,2,4-triazole
SMILESCn1c(-c2ccccc2Cl)nnc1-c1ccccc1Cl
InChIInChI=1S/C15H11Cl2N3/c1-20-14(10-6-2-4-8-12(10)16)18-19-15(20)11-7-3-5-9-13(11)17/h2-9H,1H3
InChIKeySKWYKJHAARIWNY-UHFFFAOYSA-N
XLogP4.46
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Benzyl-5-phenyl-1,2,4-triazol-3-amine
CID 15563296
3-(2-chlorophenyl)-5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H-1,2,4-triazole
CID 9998483
3-(1-(4-chlorophenyl)cyclobutyl)-5-(2,4-dichlorophenyl)-4-methyl-4H-1,2,4-triazole
CID 20724901
3-(3-chlorophenyl)-5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H-1,2,4-triazole
CID 20724912
3-(2-chlorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 747958
3-(4-Chlorophenyl)-4-methyl-5-(methylthio)-4H-1,2,4-triazole
CID 3044469
3-(3-Chloro-biphenyl-4-yl)-5-[1-(4-chloro-phenyl)-cyclobutyl]-4-methyl-4H-[1,2,4]triazole
CID 24857855
Sodium 4-benzyl-5-(4-chlorophenyl)-1,2,4-triazole-3-thiolate
CID 23697615
5-(2-chlorophenyl)-3-phenyl-1H-1,2,4-triazole
CID 644851
3-(4-Chloro-benzylsulfanyl)-4-ethyl-5-phenyl-4H-[1,2,4]triazole
CID 804932
4H-1,2,4-Triazol-4-amine, 3,5-bis(2-chlorophenyl)-
CID 826306
3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 1478277

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(2-chlorophenyl)-4-methyl-1,2,4-triazole?
The IUPAC name of 3,5-bis(2-chlorophenyl)-4-methyl-1,2,4-triazole (CID 11659479) is 3,5-bis(2-chlorophenyl)-4-methyl-1,2,4-triazole.
What is the SMILES notation for 3,5-bis(2-chlorophenyl)-4-methyl-1,2,4-triazole?
The canonical SMILES for 3,5-bis(2-chlorophenyl)-4-methyl-1,2,4-triazole is Cn1c(-c2ccccc2Cl)nnc1-c1ccccc1Cl.
What is the InChIKey of 3,5-bis(2-chlorophenyl)-4-methyl-1,2,4-triazole?
The InChIKey is SKWYKJHAARIWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3/c1-20-14(10-6-2-4-8-12(10)16)18-19-15(20)11-7-3-5-9-13(11)17/h2-9H,1H3.
What are the key properties of 3,5-bis(2-chlorophenyl)-4-methyl-1,2,4-triazole?
3,5-bis(2-chlorophenyl)-4-methyl-1,2,4-triazole has a molecular weight of 304.18 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(2-chlorophenyl)-4-methyl-1,2,4-triazole is sourced from PubChem (CID 11659479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).