2-(4-bromo-2-methylphenyl)triazol-4-amine

C9H9BrN4 — CID 104509118

IUPAC2-(4-bromo-2-methylphenyl)triazol-4-amine
SMILESCc1cc(Br)ccc1-n1ncc(N)n1
InChIInChI=1S/C9H9BrN4/c1-6-4-7(10)2-3-8(6)14-12-5-9(11)13-14/h2-5H,1H3,(H2,11,13)
InChIKeyVGYLIYVSHZDNAO-UHFFFAOYSA-N
MW253.10 g/mol
LogP1.92
Rot. Bonds1

About 2-(4-bromo-2-methylphenyl)triazol-4-amine

2-(4-bromo-2-methylphenyl)triazol-4-amine (PubChem CID 104509118) has the molecular formula C9H9BrN4 and a molecular weight of 253.10 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenyl)triazol-4-amine.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenyl)triazol-4-amine
PubChem CID104509118
Molecular FormulaC9H9BrN4
Molecular Weight253.10 g/mol
Exact Mass252.00
IUPAC Name2-(4-bromo-2-methylphenyl)triazol-4-amine
SMILESCc1cc(Br)ccc1-n1ncc(N)n1
InChIInChI=1S/C9H9BrN4/c1-6-4-7(10)2-3-8(6)14-12-5-9(11)13-14/h2-5H,1H3,(H2,11,13)
InChIKeyVGYLIYVSHZDNAO-UHFFFAOYSA-N
XLogP1.92
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-bromo-2-methylphenyl)triazol-4-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

2-(2,4-dimethylphenyl)triazol-4-amine
CID 116799236
[2-(4-bromo-2-methylphenyl)triazol-4-yl]methanamine
CID 104508877
2-(4-bromo-2-methylphenyl)triazole-4-carboxylic acid
CID 82489411
2-(4-bromo-2-methylphenyl)-5-methylpyrazol-3-amine
CID 82091925
[1-(4-bromo-2-methylphenyl)-5-methylpyrazol-4-yl]methanamine
CID 82307236
2-(4-bromo-2-methylphenyl)-5-methoxy-1,2,4-triazol-3-amine
CID 104508476
1-(4-bromo-2-methylphenyl)imidazole
CID 70332968
azane;4-bromo-2-methylaniline
CID 175038668
1-(4-bromo-2-methylphenyl)-5-chloro-3,4-dimethylpyrazole
CID 104509036
1-(4-bromo-2-methylphenyl)-3-N-ethyl-1,2,4-triazole-3,5-diamine
CID 113420709
1-(4-bromo-2-methylphenyl)-4-(3-bromophenyl)pyrazole
CID 104508555
1-(4-bromo-2-methylphenyl)piperidine
CID 66800775

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenyl)triazol-4-amine?
The IUPAC name of 2-(4-bromo-2-methylphenyl)triazol-4-amine (CID 104509118) is 2-(4-bromo-2-methylphenyl)triazol-4-amine.
What is the SMILES notation for 2-(4-bromo-2-methylphenyl)triazol-4-amine?
The canonical SMILES for 2-(4-bromo-2-methylphenyl)triazol-4-amine is Cc1cc(Br)ccc1-n1ncc(N)n1.
What is the InChIKey of 2-(4-bromo-2-methylphenyl)triazol-4-amine?
The InChIKey is VGYLIYVSHZDNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4/c1-6-4-7(10)2-3-8(6)14-12-5-9(11)13-14/h2-5H,1H3,(H2,11,13).
What are the key properties of 2-(4-bromo-2-methylphenyl)triazol-4-amine?
2-(4-bromo-2-methylphenyl)triazol-4-amine has a molecular weight of 253.10 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylphenyl)triazol-4-amine is sourced from PubChem (CID 104509118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).