4-bromo-N-[2-(2H-tetrazol-5-yl)ethyl]aniline

C9H10BrN5 — CID 3069789

IUPAC4-bromo-N-[2-(2H-tetrazol-5-yl)ethyl]aniline
SMILESBrc1ccc(NCCc2nn[nH]n2)cc1
InChIInChI=1S/C9H10BrN5/c10-7-1-3-8(4-2-7)11-6-5-9-12-14-15-13-9/h1-4,11H,5-6H2,(H,12,13,14,15)
InChIKeyLAIYEHPCEFQCDV-UHFFFAOYSA-N
MW268.12 g/mol
LogP1.62
Rot. Bonds4

About 4-bromo-N-[2-(2H-tetrazol-5-yl)ethyl]aniline

4-bromo-N-[2-(2H-tetrazol-5-yl)ethyl]aniline (PubChem CID 3069789) has the molecular formula C9H10BrN5 and a molecular weight of 268.12 g/mol. Its IUPAC name is 4-bromo-N-[2-(2H-tetrazol-5-yl)ethyl]aniline.

Molecular Properties

Compound Name4-bromo-N-[2-(2H-tetrazol-5-yl)ethyl]aniline
PubChem CID3069789
Molecular FormulaC9H10BrN5
Molecular Weight268.12 g/mol
Exact Mass267.01
IUPAC Name4-bromo-N-[2-(2H-tetrazol-5-yl)ethyl]aniline
SMILESBrc1ccc(NCCc2nn[nH]n2)cc1
InChIInChI=1S/C9H10BrN5/c10-7-1-3-8(4-2-7)11-6-5-9-12-14-15-13-9/h1-4,11H,5-6H2,(H,12,13,14,15)
InChIKeyLAIYEHPCEFQCDV-UHFFFAOYSA-N
XLogP1.62
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.12
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-bromo-N-[2-(2H-tetrazol-5-yl)ethyl]aniline 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

1H-Tetrazole-5-ethanamine, N-phenyl-
CID 3041345
N-(3-bromophenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499399
N-(4-bromophenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499451
2-fluoro-N-(2H-tetrazol-5-ylmethyl)aniline
CID 69738800
3-fluoro-N-(2H-tetrazol-5-ylmethyl)aniline
CID 83698182
N-(4-bromo-2-fluorophenyl)-1,3-dimethyl-5-(2H-tetrazol-5-yl)-2H-pyridin-4-amine
CID 141296448
4-fluoro-N-[2-(2H-tetrazol-5-yl)ethyl]aniline
CID 61367794
2-fluoro-N-[2-(2H-tetrazol-5-yl)ethyl]aniline
CID 61367795
3-fluoro-N-[2-(2H-tetrazol-5-yl)ethyl]aniline
CID 61368372
4-bromo-N-[1-(2H-tetrazol-5-yl)ethyl]-2-(trifluoromethyl)aniline
CID 65484194
4-bromo-5-fluoro-1-N-[1-(2H-tetrazol-5-yl)ethyl]benzene-1,2-diamine
CID 66109951
4-bromo-5-fluoro-1-N-(2H-tetrazol-5-ylmethyl)benzene-1,2-diamine
CID 66109952

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(2H-tetrazol-5-yl)ethyl]aniline?
The IUPAC name of 4-bromo-N-[2-(2H-tetrazol-5-yl)ethyl]aniline (CID 3069789) is 4-bromo-N-[2-(2H-tetrazol-5-yl)ethyl]aniline.
What is the SMILES notation for 4-bromo-N-[2-(2H-tetrazol-5-yl)ethyl]aniline?
The canonical SMILES for 4-bromo-N-[2-(2H-tetrazol-5-yl)ethyl]aniline is Brc1ccc(NCCc2nn[nH]n2)cc1.
What is the InChIKey of 4-bromo-N-[2-(2H-tetrazol-5-yl)ethyl]aniline?
The InChIKey is LAIYEHPCEFQCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN5/c10-7-1-3-8(4-2-7)11-6-5-9-12-14-15-13-9/h1-4,11H,5-6H2,(H,12,13,14,15).
What are the key properties of 4-bromo-N-[2-(2H-tetrazol-5-yl)ethyl]aniline?
4-bromo-N-[2-(2H-tetrazol-5-yl)ethyl]aniline has a molecular weight of 268.12 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(2H-tetrazol-5-yl)ethyl]aniline is sourced from PubChem (CID 3069789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).