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

C15H11Cl2N3 — CID 16678804

IUPAC1-benzyl-5-(2,3-dichlorophenyl)-1,2,4-triazole
SMILESClc1cccc(-c2ncnn2Cc2ccccc2)c1Cl
InChIInChI=1S/C15H11Cl2N3/c16-13-8-4-7-12(14(13)17)15-18-10-19-20(15)9-11-5-2-1-3-6-11/h1-8,10H,9H2
InChIKeyQBOIAECLOSIGFH-UHFFFAOYSA-N
MW304.18 g/mol
LogP4.30
Rot. Bonds3

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

1-benzyl-5-(2,3-dichlorophenyl)-1,2,4-triazole (PubChem CID 16678804) has the molecular formula C15H11Cl2N3 and a molecular weight of 304.18 g/mol. Its IUPAC name is 1-benzyl-5-(2,3-dichlorophenyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-benzyl-5-(2,3-dichlorophenyl)-1,2,4-triazole
PubChem CID16678804
Molecular FormulaC15H11Cl2N3
Molecular Weight304.18 g/mol
Exact Mass303.03
IUPAC Name1-benzyl-5-(2,3-dichlorophenyl)-1,2,4-triazole
SMILESClc1cccc(-c2ncnn2Cc2ccccc2)c1Cl
InChIInChI=1S/C15H11Cl2N3/c16-13-8-4-7-12(14(13)17)15-18-10-19-20(15)9-11-5-2-1-3-6-11/h1-8,10H,9H2
InChIKeyQBOIAECLOSIGFH-UHFFFAOYSA-N
XLogP4.30
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4H-1,2,4-Triazol-4-amine, 3,5-bis(2-chlorophenyl)-
CID 826306
1-Benzyl-5-(2,3-dichlorophenyl)tetrazole
CID 11515022
1-(2,6-dichlorobenzyl)-5-(2,3-dichlorophenyl)-1H-tetraazole
CID 11516301
3-(2-Chloro-4-fluorophenyl)-5-(2-chlorophenyl)-4-methyl-1,2,4-triazole
CID 11587817
5-(2,3-Dichlorophenyl)-1-[(2-methylphenyl)methyl]tetrazole
CID 11652648
3,5-Bis(2-chlorophenyl)-4-methyl-1,2,4-triazole
CID 11659479
3-(2,3-Dichlorophenyl)-4-[(2,3-dichlorophenyl)methyl]-1,2,4-triazole
CID 16678288
3-(2,3-Dichlorophenyl)-4-[(2-methylphenyl)methyl]-1,2,4-triazole
CID 16678387
3-(2,3-Dichlorophenyl)-4-[[2-(trifluoromethyl)phenyl]methyl]-1,2,4-triazole
CID 16678391
3-(2,3-Dichlorophenyl)-4-[(2-methylsulfanylphenyl)methyl]-1,2,4-triazole
CID 16678483
3-(2,3-Dichlorophenyl)-4-(naphthalen-1-ylmethyl)-1,2,4-triazole
CID 16678694
3-(2,3-dichlorophenyl)-4-[(1R)-2,3-dihydro-1H-inden-1-yl]-1,2,4-triazole
CID 16679594

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(2,3-dichlorophenyl)-1,2,4-triazole?
The IUPAC name of 1-benzyl-5-(2,3-dichlorophenyl)-1,2,4-triazole (CID 16678804) is 1-benzyl-5-(2,3-dichlorophenyl)-1,2,4-triazole.
What is the SMILES notation for 1-benzyl-5-(2,3-dichlorophenyl)-1,2,4-triazole?
The canonical SMILES for 1-benzyl-5-(2,3-dichlorophenyl)-1,2,4-triazole is Clc1cccc(-c2ncnn2Cc2ccccc2)c1Cl.
What is the InChIKey of 1-benzyl-5-(2,3-dichlorophenyl)-1,2,4-triazole?
The InChIKey is QBOIAECLOSIGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3/c16-13-8-4-7-12(14(13)17)15-18-10-19-20(15)9-11-5-2-1-3-6-11/h1-8,10H,9H2.
What are the key properties of 1-benzyl-5-(2,3-dichlorophenyl)-1,2,4-triazole?
1-benzyl-5-(2,3-dichlorophenyl)-1,2,4-triazole has a molecular weight of 304.18 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(2,3-dichlorophenyl)-1,2,4-triazole is sourced from PubChem (CID 16678804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).