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

C8H9BrN4S — CID 83664745

IUPAC2-[1-(4-bromothiophen-2-yl)triazol-4-yl]ethanamine
SMILESNCCc1cn(-c2cc(Br)cs2)nn1
InChIInChI=1S/C8H9BrN4S/c9-6-3-8(14-5-6)13-4-7(1-2-10)11-12-13/h3-5H,1-2,10H2
InChIKeyVROAHUYLVKZAPS-UHFFFAOYSA-N
MW273.16 g/mol
LogP1.59
Rot. Bonds3

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

2-[1-(4-bromothiophen-2-yl)triazol-4-yl]ethanamine (PubChem CID 83664745) has the molecular formula C8H9BrN4S and a molecular weight of 273.16 g/mol. Its IUPAC name is 2-[1-(4-bromothiophen-2-yl)triazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(4-bromothiophen-2-yl)triazol-4-yl]ethanamine
PubChem CID83664745
Molecular FormulaC8H9BrN4S
Molecular Weight273.16 g/mol
Exact Mass271.97
IUPAC Name2-[1-(4-bromothiophen-2-yl)triazol-4-yl]ethanamine
SMILESNCCc1cn(-c2cc(Br)cs2)nn1
InChIInChI=1S/C8H9BrN4S/c9-6-3-8(14-5-6)13-4-7(1-2-10)11-12-13/h3-5H,1-2,10H2
InChIKeyVROAHUYLVKZAPS-UHFFFAOYSA-N
XLogP1.59
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(5-Bromothiophen-3-yl)methyl]triazol-4-yl]methanamine
CID 62055144
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]ethanamine
CID 62462078
N-[(5-bromothiophen-3-yl)methyl]-2-[4-(ethylaminomethyl)triazol-1-yl]-N-methylethanamine
CID 62462259
N-[[1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 62462260
N-[[1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]ethyl]triazol-4-yl]methyl]propan-2-amine
CID 62462261
2-[4-(aminomethyl)triazol-1-yl]-N-[(5-bromothiophen-3-yl)methyl]-N-methylethanamine
CID 62462611
2-[1-[(5-Bromothiophen-3-yl)methyl]triazol-4-yl]propan-2-amine
CID 64006720
2-[4-[[(5-Bromothiophen-3-yl)methyl-methylamino]methyl]triazol-1-yl]ethanamine
CID 65945361
N-[[1-[(5-bromothiophen-3-yl)methyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66192881
N-[[1-[(5-bromothiophen-3-yl)methyl]triazol-4-yl]methyl]propan-2-amine
CID 66193563
N-[[1-[(5-bromothiophen-3-yl)methyl]triazol-4-yl]methyl]ethanamine
CID 66193691
N-[[1-[(5-bromothiophen-3-yl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66193787

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromothiophen-2-yl)triazol-4-yl]ethanamine?
The IUPAC name of 2-[1-(4-bromothiophen-2-yl)triazol-4-yl]ethanamine (CID 83664745) is 2-[1-(4-bromothiophen-2-yl)triazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-(4-bromothiophen-2-yl)triazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-(4-bromothiophen-2-yl)triazol-4-yl]ethanamine is NCCc1cn(-c2cc(Br)cs2)nn1.
What is the InChIKey of 2-[1-(4-bromothiophen-2-yl)triazol-4-yl]ethanamine?
The InChIKey is VROAHUYLVKZAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN4S/c9-6-3-8(14-5-6)13-4-7(1-2-10)11-12-13/h3-5H,1-2,10H2.
What are the key properties of 2-[1-(4-bromothiophen-2-yl)triazol-4-yl]ethanamine?
2-[1-(4-bromothiophen-2-yl)triazol-4-yl]ethanamine has a molecular weight of 273.16 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromothiophen-2-yl)triazol-4-yl]ethanamine is sourced from PubChem (CID 83664745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).