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

C9H8BrClN4 — CID 107938618

IUPAC5-(3-bromo-5-chlorophenyl)-2-methyl-1,2,4-triazol-3-amine
SMILESCn1nc(-c2cc(Cl)cc(Br)c2)nc1N
InChIInChI=1S/C9H8BrClN4/c1-15-9(12)13-8(14-15)5-2-6(10)4-7(11)3-5/h2-4H,1H3,(H2,12,13,14)
InChIKeyLCYBFPMJYUWUSH-UHFFFAOYSA-N
MW287.55 g/mol
LogP2.48
Rot. Bonds1

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

5-(3-bromo-5-chlorophenyl)-2-methyl-1,2,4-triazol-3-amine (PubChem CID 107938618) has the molecular formula C9H8BrClN4 and a molecular weight of 287.55 g/mol. Its IUPAC name is 5-(3-bromo-5-chlorophenyl)-2-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(3-bromo-5-chlorophenyl)-2-methyl-1,2,4-triazol-3-amine
PubChem CID107938618
Molecular FormulaC9H8BrClN4
Molecular Weight287.55 g/mol
Exact Mass285.96
IUPAC Name5-(3-bromo-5-chlorophenyl)-2-methyl-1,2,4-triazol-3-amine
SMILESCn1nc(-c2cc(Cl)cc(Br)c2)nc1N
InChIInChI=1S/C9H8BrClN4/c1-15-9(12)13-8(14-15)5-2-6(10)4-7(11)3-5/h2-4H,1H3,(H2,12,13,14)
InChIKeyLCYBFPMJYUWUSH-UHFFFAOYSA-N
XLogP2.48
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.55
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(3-bromo-5-chlorophenyl)-2-methyl-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-(3,5-dibromophenyl)-2-methyl-1,2,4-triazol-3-amine
CID 107971918
2-(3-bromo-5-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 82566662
2-(3-bromo-5-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 82566480
5-(2-chloro-4-methylphenyl)-2-methyl-1,2,4-triazol-3-amine
CID 106860891
5-(5-amino-1-methyl-1,2,4-triazol-3-yl)pyridin-3-ol
CID 104605415
methyl 2-(3-bromo-5-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 82567266
5-(3-methoxy-4-methylphenyl)-2-methyl-1,2,4-triazol-3-amine
CID 104605127
3-(3-chloro-5-methylphenyl)-1-methylpyrazol-5-amine
CID 81323807
3-(3-bromo-5-chlorophenyl)-4-propan-2-yl-1,2,4-triazole
CID 107944046
2-[5-(3-bromo-5-chlorophenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 103825966
5-(3-bromo-5-chlorophenyl)-1,3-thiazol-2-amine
CID 164892159
ethyl 3-(3-bromo-5-chlorophenyl)-1H-1,2,4-triazole-5-carboxylate
CID 107940940

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-5-chlorophenyl)-2-methyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-(3-bromo-5-chlorophenyl)-2-methyl-1,2,4-triazol-3-amine (CID 107938618) is 5-(3-bromo-5-chlorophenyl)-2-methyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(3-bromo-5-chlorophenyl)-2-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(3-bromo-5-chlorophenyl)-2-methyl-1,2,4-triazol-3-amine is Cn1nc(-c2cc(Cl)cc(Br)c2)nc1N.
What is the InChIKey of 5-(3-bromo-5-chlorophenyl)-2-methyl-1,2,4-triazol-3-amine?
The InChIKey is LCYBFPMJYUWUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClN4/c1-15-9(12)13-8(14-15)5-2-6(10)4-7(11)3-5/h2-4H,1H3,(H2,12,13,14).
What are the key properties of 5-(3-bromo-5-chlorophenyl)-2-methyl-1,2,4-triazol-3-amine?
5-(3-bromo-5-chlorophenyl)-2-methyl-1,2,4-triazol-3-amine has a molecular weight of 287.55 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-5-chlorophenyl)-2-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 107938618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).