1-[(2,4-dichlorophenyl)methyl]-3,5-diphenyl-1,2,4-triazole

C21H15Cl2N3 — CID 3134332

IUPAC1-[(2,4-dichlorophenyl)methyl]-3,5-diphenyl-1,2,4-triazole
SMILESClc1ccc(Cn2nc(-c3ccccc3)nc2-c2ccccc2)c(Cl)c1
InChIInChI=1S/C21H15Cl2N3/c22-18-12-11-17(19(23)13-18)14-26-21(16-9-5-2-6-10-16)24-20(25-26)15-7-3-1-4-8-15/h1-13H,14H2
InChIKeyHFXAYCQUSGOEEY-UHFFFAOYSA-N
MW380.28 g/mol
LogP5.97
Rot. Bonds4

About 1-[(2,4-dichlorophenyl)methyl]-3,5-diphenyl-1,2,4-triazole

1-[(2,4-dichlorophenyl)methyl]-3,5-diphenyl-1,2,4-triazole (PubChem CID 3134332) has the molecular formula C21H15Cl2N3 and a molecular weight of 380.28 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-3,5-diphenyl-1,2,4-triazole.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-3,5-diphenyl-1,2,4-triazole
PubChem CID3134332
Molecular FormulaC21H15Cl2N3
Molecular Weight380.28 g/mol
Exact Mass379.06
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-3,5-diphenyl-1,2,4-triazole
SMILESClc1ccc(Cn2nc(-c3ccccc3)nc2-c2ccccc2)c(Cl)c1
InChIInChI=1S/C21H15Cl2N3/c22-18-12-11-17(19(23)13-18)14-26-21(16-9-5-2-6-10-16)24-20(25-26)15-7-3-1-4-8-15/h1-13H,14H2
InChIKeyHFXAYCQUSGOEEY-UHFFFAOYSA-N
XLogP5.97
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.28
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(2,4-dichlorophenyl)methyl]-3,5-diphenyl-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2,4-dichlorophenyl)methyl]-4-methyl-6-phenylpyrazolo[3,4-d]pyrimidin-3-amine
CID 35715079
3-[(2,4-dichlorophenyl)methyl]-5-phenyltriazol-4-amine
CID 46397595
2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide
CID 855851
6-[(2,4-dichlorophenyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928507
5-bromo-2-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-amine
CID 131613352
2-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]prop-2-enoic acid
CID 67610724
1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxamide
CID 11537039
2-(2,4-dichlorophenyl)-N-[[2-[(2,4-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]ethanamine
CID 124895412
4-[7-(2-benzyl-5-phenyl-1,2,4-triazol-3-yl)-9,9-difluorofluoren-2-yl]-2,6-diphenylpyrimidine
CID 162601156
1-[(2,4-dichlorophenyl)methyl]-3-(4-methylphenyl)pyrazole-5-carboxylic acid
CID 91871325
N-[[2-[(2,4-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]ethanamine
CID 124826066
(1S)-N-[[2-[(2,4-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylethanamine
CID 124824295

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-3,5-diphenyl-1,2,4-triazole?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-3,5-diphenyl-1,2,4-triazole (CID 3134332) is 1-[(2,4-dichlorophenyl)methyl]-3,5-diphenyl-1,2,4-triazole.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-3,5-diphenyl-1,2,4-triazole?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-3,5-diphenyl-1,2,4-triazole is Clc1ccc(Cn2nc(-c3ccccc3)nc2-c2ccccc2)c(Cl)c1.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-3,5-diphenyl-1,2,4-triazole?
The InChIKey is HFXAYCQUSGOEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2N3/c22-18-12-11-17(19(23)13-18)14-26-21(16-9-5-2-6-10-16)24-20(25-26)15-7-3-1-4-8-15/h1-13H,14H2.
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-3,5-diphenyl-1,2,4-triazole?
1-[(2,4-dichlorophenyl)methyl]-3,5-diphenyl-1,2,4-triazole has a molecular weight of 380.28 g/mol, XLogP of 5.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]-3,5-diphenyl-1,2,4-triazole is sourced from PubChem (CID 3134332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).