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

C14H10BrClN4 — CID 17128167

IUPAC5-(4-bromophenyl)-N-(4-chlorophenyl)-1H-1,2,4-triazol-3-amine
SMILESClc1ccc(Nc2n[nH]c(-c3ccc(Br)cc3)n2)cc1
InChIInChI=1S/C14H10BrClN4/c15-10-3-1-9(2-4-10)13-18-14(20-19-13)17-12-7-5-11(16)6-8-12/h1-8H,(H2,17,18,19,20)
InChIKeyVJPBGDAYHATSBL-UHFFFAOYSA-N
MW349.62 g/mol
LogP4.63
Rot. Bonds3

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

5-(4-bromophenyl)-N-(4-chlorophenyl)-1H-1,2,4-triazol-3-amine (PubChem CID 17128167) has the molecular formula C14H10BrClN4 and a molecular weight of 349.62 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-(4-chlorophenyl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-(4-chlorophenyl)-1H-1,2,4-triazol-3-amine
PubChem CID17128167
Molecular FormulaC14H10BrClN4
Molecular Weight349.62 g/mol
Exact Mass347.98
IUPAC Name5-(4-bromophenyl)-N-(4-chlorophenyl)-1H-1,2,4-triazol-3-amine
SMILESClc1ccc(Nc2n[nH]c(-c3ccc(Br)cc3)n2)cc1
InChIInChI=1S/C14H10BrClN4/c15-10-3-1-9(2-4-10)13-18-14(20-19-13)17-12-7-5-11(16)6-8-12/h1-8H,(H2,17,18,19,20)
InChIKeyVJPBGDAYHATSBL-UHFFFAOYSA-N
XLogP4.63
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.62
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(4-bromophenyl)-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-(5-bromo-2-chlorophenyl)-N-(4-chlorophenyl)-1H-1,2,4-triazol-3-amine
CID 17128171
3-(4-bromophenyl)-5-(4-chlorophenyl)-1H-1,2,4-triazole
CID 141477531
N-[(4-bromophenyl)methyl]-5-[4-[(4-chlorophenoxy)methyl]phenyl]-1H-1,2,4-triazol-3-amine
CID 167836607
5-(3-butoxyphenyl)-N-(4-chlorophenyl)-1H-1,2,4-triazol-3-amine
CID 17128189
5-(1-benzofuran-2-yl)-N-(4-chlorophenyl)-1H-1,2,4-triazol-3-amine
CID 17128196
N-(4-bromophenyl)-4-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 3551547
4-[[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]amino]benzoic acid
CID 71563760
4-[[5-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenol
CID 59135376
N-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-5-nitro-1,3-thiazol-2-amine
CID 15485699
1-bromo-4-[4-(4-chlorophenyl)phenyl]benzene
CID 151204294
N-(4-bromophenyl)-5-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine
CID 70676807
3-N-(4-bromophenyl)-5-N-[(4-chlorophenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112950545

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-(4-chlorophenyl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(4-bromophenyl)-N-(4-chlorophenyl)-1H-1,2,4-triazol-3-amine (CID 17128167) is 5-(4-bromophenyl)-N-(4-chlorophenyl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(4-bromophenyl)-N-(4-chlorophenyl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(4-bromophenyl)-N-(4-chlorophenyl)-1H-1,2,4-triazol-3-amine is Clc1ccc(Nc2n[nH]c(-c3ccc(Br)cc3)n2)cc1.
What is the InChIKey of 5-(4-bromophenyl)-N-(4-chlorophenyl)-1H-1,2,4-triazol-3-amine?
The InChIKey is VJPBGDAYHATSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN4/c15-10-3-1-9(2-4-10)13-18-14(20-19-13)17-12-7-5-11(16)6-8-12/h1-8H,(H2,17,18,19,20).
What are the key properties of 5-(4-bromophenyl)-N-(4-chlorophenyl)-1H-1,2,4-triazol-3-amine?
5-(4-bromophenyl)-N-(4-chlorophenyl)-1H-1,2,4-triazol-3-amine has a molecular weight of 349.62 g/mol, XLogP of 4.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-(4-chlorophenyl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 17128167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).