2-bromo-5-[1-(2-bromo-4-methylphenyl)tetrazol-5-yl]aniline

C14H11Br2N5 — CID 61353674

IUPAC2-bromo-5-[1-(2-bromo-4-methylphenyl)tetrazol-5-yl]aniline
SMILESCc1ccc(-n2nnnc2-c2ccc(Br)c(N)c2)c(Br)c1
InChIInChI=1S/C14H11Br2N5/c1-8-2-5-13(11(16)6-8)21-14(18-19-20-21)9-3-4-10(15)12(17)7-9/h2-7H,17H2,1H3
InChIKeyHXMNEAKDJRNXFC-UHFFFAOYSA-N
MW409.09 g/mol
LogP3.74
Rot. Bonds2

About 2-bromo-5-[1-(2-bromo-4-methylphenyl)tetrazol-5-yl]aniline

2-bromo-5-[1-(2-bromo-4-methylphenyl)tetrazol-5-yl]aniline (PubChem CID 61353674) has the molecular formula C14H11Br2N5 and a molecular weight of 409.09 g/mol. Its IUPAC name is 2-bromo-5-[1-(2-bromo-4-methylphenyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name2-bromo-5-[1-(2-bromo-4-methylphenyl)tetrazol-5-yl]aniline
PubChem CID61353674
Molecular FormulaC14H11Br2N5
Molecular Weight409.09 g/mol
Exact Mass406.94
IUPAC Name2-bromo-5-[1-(2-bromo-4-methylphenyl)tetrazol-5-yl]aniline
SMILESCc1ccc(-n2nnnc2-c2ccc(Br)c(N)c2)c(Br)c1
InChIInChI=1S/C14H11Br2N5/c1-8-2-5-13(11(16)6-8)21-14(18-19-20-21)9-3-4-10(15)12(17)7-9/h2-7H,17H2,1H3
InChIKeyHXMNEAKDJRNXFC-UHFFFAOYSA-N
XLogP3.74
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.09
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-bromo-5-[1-(2-bromo-4-methylphenyl)tetrazol-5-yl]aniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[1-(2-bromo-4-methylphenyl)tetrazol-5-yl]aniline?
The IUPAC name of 2-bromo-5-[1-(2-bromo-4-methylphenyl)tetrazol-5-yl]aniline (CID 61353674) is 2-bromo-5-[1-(2-bromo-4-methylphenyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 2-bromo-5-[1-(2-bromo-4-methylphenyl)tetrazol-5-yl]aniline?
The canonical SMILES for 2-bromo-5-[1-(2-bromo-4-methylphenyl)tetrazol-5-yl]aniline is Cc1ccc(-n2nnnc2-c2ccc(Br)c(N)c2)c(Br)c1.
What is the InChIKey of 2-bromo-5-[1-(2-bromo-4-methylphenyl)tetrazol-5-yl]aniline?
The InChIKey is HXMNEAKDJRNXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2N5/c1-8-2-5-13(11(16)6-8)21-14(18-19-20-21)9-3-4-10(15)12(17)7-9/h2-7H,17H2,1H3.
What are the key properties of 2-bromo-5-[1-(2-bromo-4-methylphenyl)tetrazol-5-yl]aniline?
2-bromo-5-[1-(2-bromo-4-methylphenyl)tetrazol-5-yl]aniline has a molecular weight of 409.09 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[1-(2-bromo-4-methylphenyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 61353674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).