2-[1-[(5-bromothiophen-3-yl)methyl]triazol-4-yl]ethanamine

C9H11BrN4S — CID 116642301

IUPAC2-[1-[(5-bromothiophen-3-yl)methyl]triazol-4-yl]ethanamine
SMILESNCCc1cn(Cc2csc(Br)c2)nn1
InChIInChI=1S/C9H11BrN4S/c10-9-3-7(6-15-9)4-14-5-8(1-2-11)12-13-14/h3,5-6H,1-2,4,11H2
InChIKeyCZMMLWNABAEXJM-UHFFFAOYSA-N
MW287.19 g/mol
LogP1.65
Rot. Bonds4

About 2-[1-[(5-bromothiophen-3-yl)methyl]triazol-4-yl]ethanamine

2-[1-[(5-bromothiophen-3-yl)methyl]triazol-4-yl]ethanamine (PubChem CID 116642301) has the molecular formula C9H11BrN4S and a molecular weight of 287.19 g/mol. Its IUPAC name is 2-[1-[(5-bromothiophen-3-yl)methyl]triazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(5-bromothiophen-3-yl)methyl]triazol-4-yl]ethanamine
PubChem CID116642301
Molecular FormulaC9H11BrN4S
Molecular Weight287.19 g/mol
Exact Mass285.99
IUPAC Name2-[1-[(5-bromothiophen-3-yl)methyl]triazol-4-yl]ethanamine
SMILESNCCc1cn(Cc2csc(Br)c2)nn1
InChIInChI=1S/C9H11BrN4S/c10-9-3-7(6-15-9)4-14-5-8(1-2-11)12-13-14/h3,5-6H,1-2,4,11H2
InChIKeyCZMMLWNABAEXJM-UHFFFAOYSA-N
XLogP1.65
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-[(5-bromothiophen-3-yl)methyl]triazol-4-yl]ethanamine 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

4-(Methylsulfanylmethyl)-1-(thiophen-3-ylmethyl)triazole
CID 68515541
propane;N'-[(Z)-1-[1-(thiophen-3-ylmethyl)triazol-4-yl]but-2-en-2-yl]ethanimidamide
CID 144021757
n-((5-Bromothiophen-3-yl)methyl)-1-(1h-pyrazol-1-yl)propan-2-amine
CID 43435001
N-[(5-bromothiophen-3-yl)methyl]-1-methylpyrazol-4-amine
CID 43647092
N-[(5-bromothiophen-3-yl)methyl]-1-ethylpyrazol-4-amine
CID 43647094
N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 55072751
n-((5-Bromothiophen-3-yl)methyl)-2-(1h-pyrazol-1-yl)ethan-1-amine
CID 56828835
N-[(5-bromothiophen-3-yl)methyl]-1-[2-(diethylamino)ethyl]pyrazol-4-amine
CID 60931810
{1-[(thiophen-3-yl)methyl]-1H-1,2,3-triazol-4-yl}methanamine
CID 62053952
[1-[(5-Bromothiophen-3-yl)methyl]triazol-4-yl]methanamine
CID 62055144
1-[2-[(5-Bromothiophen-3-yl)methyl-methylamino]ethyl]pyrazol-4-amine
CID 62139546
4-(2-Bromoethyl)-1-(thiophen-3-ylmethyl)triazole
CID 62394425

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-bromothiophen-3-yl)methyl]triazol-4-yl]ethanamine?
The IUPAC name of 2-[1-[(5-bromothiophen-3-yl)methyl]triazol-4-yl]ethanamine (CID 116642301) is 2-[1-[(5-bromothiophen-3-yl)methyl]triazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-[(5-bromothiophen-3-yl)methyl]triazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-[(5-bromothiophen-3-yl)methyl]triazol-4-yl]ethanamine is NCCc1cn(Cc2csc(Br)c2)nn1.
What is the InChIKey of 2-[1-[(5-bromothiophen-3-yl)methyl]triazol-4-yl]ethanamine?
The InChIKey is CZMMLWNABAEXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN4S/c10-9-3-7(6-15-9)4-14-5-8(1-2-11)12-13-14/h3,5-6H,1-2,4,11H2.
What are the key properties of 2-[1-[(5-bromothiophen-3-yl)methyl]triazol-4-yl]ethanamine?
2-[1-[(5-bromothiophen-3-yl)methyl]triazol-4-yl]ethanamine has a molecular weight of 287.19 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-bromothiophen-3-yl)methyl]triazol-4-yl]ethanamine is sourced from PubChem (CID 116642301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).