5-(5-bromo-2-chlorophenyl)-N-(4-chlorophenyl)-1H-1,2,4-triazol-3-amine

C14H9BrCl2N4 — CID 17128171

IUPAC5-(5-bromo-2-chlorophenyl)-N-(4-chlorophenyl)-1H-1,2,4-triazol-3-amine
SMILESClc1ccc(Nc2n[nH]c(-c3cc(Br)ccc3Cl)n2)cc1
InChIInChI=1S/C14H9BrCl2N4/c15-8-1-6-12(17)11(7-8)13-19-14(21-20-13)18-10-4-2-9(16)3-5-10/h1-7H,(H2,18,19,20,21)
InChIKeyHIACOVOLLCEXRV-UHFFFAOYSA-N
MW384.06 g/mol
LogP5.28
Rot. Bonds3

About 5-(5-bromo-2-chlorophenyl)-N-(4-chlorophenyl)-1H-1,2,4-triazol-3-amine

5-(5-bromo-2-chlorophenyl)-N-(4-chlorophenyl)-1H-1,2,4-triazol-3-amine (PubChem CID 17128171) has the molecular formula C14H9BrCl2N4 and a molecular weight of 384.06 g/mol. Its IUPAC name is 5-(5-bromo-2-chlorophenyl)-N-(4-chlorophenyl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(5-bromo-2-chlorophenyl)-N-(4-chlorophenyl)-1H-1,2,4-triazol-3-amine
PubChem CID17128171
Molecular FormulaC14H9BrCl2N4
Molecular Weight384.06 g/mol
Exact Mass381.94
IUPAC Name5-(5-bromo-2-chlorophenyl)-N-(4-chlorophenyl)-1H-1,2,4-triazol-3-amine
SMILESClc1ccc(Nc2n[nH]c(-c3cc(Br)ccc3Cl)n2)cc1
InChIInChI=1S/C14H9BrCl2N4/c15-8-1-6-12(17)11(7-8)13-19-14(21-20-13)18-10-4-2-9(16)3-5-10/h1-7H,(H2,18,19,20,21)
InChIKeyHIACOVOLLCEXRV-UHFFFAOYSA-N
XLogP5.28
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.06
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(5-bromo-2-chlorophenyl)-N-(4-chlorophenyl)-1H-1,2,4-triazol-3-amine 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

5-(4-bromophenyl)-N-(4-chlorophenyl)-1H-1,2,4-triazol-3-amine
CID 17128167
5-(1-benzofuran-2-yl)-N-(4-chlorophenyl)-1H-1,2,4-triazol-3-amine
CID 17128196
N-[5-(2,5-dichlorophenyl)-1H-1,2,4-triazol-3-yl]-2-(diethylamino)acetamide
CID 154801175
5-(3-butoxyphenyl)-N-(4-chlorophenyl)-1H-1,2,4-triazol-3-amine
CID 17128189
5-(5-bromo-2-chlorophenyl)-2-methyl-1H-1,2,4-triazole-3-thione
CID 104602057
4-[[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]amino]benzoic acid
CID 71563760
3-(5-bromo-2-chlorophenyl)-5-ethyl-1H-1,2,4-triazole
CID 61278949
4-bromo-2-(4-chloroanilino)benzonitrile
CID 114901338
4-N-(5-bromo-2-chlorophenyl)benzene-1,4-diamine
CID 62913398
6-(5-bromo-2-propan-2-yloxyphenyl)-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine
CID 59788223
2-(5-bromo-2-chlorophenyl)-6-chloro-N-methylquinazolin-4-amine
CID 64981113
4-bromo-2-(5-bromo-2-chlorophenyl)-1H-benzimidazole
CID 114271471

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-chlorophenyl)-N-(4-chlorophenyl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(5-bromo-2-chlorophenyl)-N-(4-chlorophenyl)-1H-1,2,4-triazol-3-amine (CID 17128171) is 5-(5-bromo-2-chlorophenyl)-N-(4-chlorophenyl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(5-bromo-2-chlorophenyl)-N-(4-chlorophenyl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(5-bromo-2-chlorophenyl)-N-(4-chlorophenyl)-1H-1,2,4-triazol-3-amine is Clc1ccc(Nc2n[nH]c(-c3cc(Br)ccc3Cl)n2)cc1.
What is the InChIKey of 5-(5-bromo-2-chlorophenyl)-N-(4-chlorophenyl)-1H-1,2,4-triazol-3-amine?
The InChIKey is HIACOVOLLCEXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrCl2N4/c15-8-1-6-12(17)11(7-8)13-19-14(21-20-13)18-10-4-2-9(16)3-5-10/h1-7H,(H2,18,19,20,21).
What are the key properties of 5-(5-bromo-2-chlorophenyl)-N-(4-chlorophenyl)-1H-1,2,4-triazol-3-amine?
5-(5-bromo-2-chlorophenyl)-N-(4-chlorophenyl)-1H-1,2,4-triazol-3-amine has a molecular weight of 384.06 g/mol, XLogP of 5.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-chlorophenyl)-N-(4-chlorophenyl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 17128171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).