1-(3-chloro-4-methylphenyl)-5-(2,3-dichlorophenyl)-1,2,4-triazole

C15H10Cl3N3 — CID 760828

IUPAC1-(3-chloro-4-methylphenyl)-5-(2,3-dichlorophenyl)-1,2,4-triazole
SMILESCc1ccc(-n2ncnc2-c2cccc(Cl)c2Cl)cc1Cl
InChIInChI=1S/C15H10Cl3N3/c1-9-5-6-10(7-13(9)17)21-15(19-8-20-21)11-3-2-4-12(16)14(11)18/h2-8H,1H3
InChIKeyBWDMPFRMLHYYBX-UHFFFAOYSA-N
MW338.63 g/mol
LogP5.20
Rot. Bonds2

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

1-(3-chloro-4-methylphenyl)-5-(2,3-dichlorophenyl)-1,2,4-triazole (PubChem CID 760828) has the molecular formula C15H10Cl3N3 and a molecular weight of 338.63 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-5-(2,3-dichlorophenyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-5-(2,3-dichlorophenyl)-1,2,4-triazole
PubChem CID760828
Molecular FormulaC15H10Cl3N3
Molecular Weight338.63 g/mol
Exact Mass336.99
IUPAC Name1-(3-chloro-4-methylphenyl)-5-(2,3-dichlorophenyl)-1,2,4-triazole
SMILESCc1ccc(-n2ncnc2-c2cccc(Cl)c2Cl)cc1Cl
InChIInChI=1S/C15H10Cl3N3/c1-9-5-6-10(7-13(9)17)21-15(19-8-20-21)11-3-2-4-12(16)14(11)18/h2-8H,1H3
InChIKeyBWDMPFRMLHYYBX-UHFFFAOYSA-N
XLogP5.20
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.63
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-5-(2,3-dichlorophenyl)-1,2,4-triazole?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-5-(2,3-dichlorophenyl)-1,2,4-triazole (CID 760828) is 1-(3-chloro-4-methylphenyl)-5-(2,3-dichlorophenyl)-1,2,4-triazole.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-5-(2,3-dichlorophenyl)-1,2,4-triazole?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-5-(2,3-dichlorophenyl)-1,2,4-triazole is Cc1ccc(-n2ncnc2-c2cccc(Cl)c2Cl)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-5-(2,3-dichlorophenyl)-1,2,4-triazole?
The InChIKey is BWDMPFRMLHYYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl3N3/c1-9-5-6-10(7-13(9)17)21-15(19-8-20-21)11-3-2-4-12(16)14(11)18/h2-8H,1H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-5-(2,3-dichlorophenyl)-1,2,4-triazole?
1-(3-chloro-4-methylphenyl)-5-(2,3-dichlorophenyl)-1,2,4-triazole has a molecular weight of 338.63 g/mol, XLogP of 5.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-5-(2,3-dichlorophenyl)-1,2,4-triazole is sourced from PubChem (CID 760828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).