[1-[(4-bromothiophen-2-yl)methyl]triazol-4-yl]methanamine

C8H9BrN4S — CID 62054981

IUPAC[1-[(4-bromothiophen-2-yl)methyl]triazol-4-yl]methanamine
SMILESNCc1cn(Cc2cc(Br)cs2)nn1
InChIInChI=1S/C8H9BrN4S/c9-6-1-8(14-5-6)4-13-3-7(2-10)11-12-13/h1,3,5H,2,4,10H2
InChIKeyNJKDWQKGADJAAX-UHFFFAOYSA-N
MW273.16 g/mol
LogP1.61
Rot. Bonds3

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

[1-[(4-bromothiophen-2-yl)methyl]triazol-4-yl]methanamine (PubChem CID 62054981) has the molecular formula C8H9BrN4S and a molecular weight of 273.16 g/mol. Its IUPAC name is [1-[(4-bromothiophen-2-yl)methyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[(4-bromothiophen-2-yl)methyl]triazol-4-yl]methanamine
PubChem CID62054981
Molecular FormulaC8H9BrN4S
Molecular Weight273.16 g/mol
Exact Mass271.97
IUPAC Name[1-[(4-bromothiophen-2-yl)methyl]triazol-4-yl]methanamine
SMILESNCc1cn(Cc2cc(Br)cs2)nn1
InChIInChI=1S/C8H9BrN4S/c9-6-1-8(14-5-6)4-13-3-7(2-10)11-12-13/h1,3,5H,2,4,10H2
InChIKeyNJKDWQKGADJAAX-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-[(4-bromothiophen-2-yl)methyl]triazol-4-yl]methanamine with MolForge

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Related Compounds

N-methyl-1-(1-{[1-(2-thienylmethyl)-4-piperidinyl]methyl}-1H-1,2,3-triazol-4-yl)methanamine
CID 28139267
2-(4-Bromothiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine
CID 61631284
N-[(4-bromothiophen-2-yl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine
CID 62566023
N-[(3-bromothiophen-2-yl)methyl]-1-(2,2-difluoroethyl)pyrazol-4-amine
CID 86793042
(3-Fluorothiophen-2-yl)-(1-methyltriazol-4-yl)methanamine
CID 130603707
4-(Methylsulfanylmethyl)-1-(1-thiophen-2-ylethyl)triazole
CID 68514341
4-(Methylsulfanylmethyl)-1-(thiophen-2-ylmethyl)triazole
CID 68518939
4-(5-Bromothiophen-2-yl)-1-propyltriazole
CID 135305771
4-Butyl-1-(thiophen-2-ylmethyl)triazole
CID 174712957
1-((5-Bromothiophen-2-yl)methyl)-1h-pyrazol-4-amine
CID 28374028
N-[(4-bromothiophen-2-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 43435104
N-[(4-bromothiophen-2-yl)methyl]-1-methyl-1H-pyrazol-4-amine
CID 43534759

Frequently Asked Questions

What is the IUPAC name of [1-[(4-bromothiophen-2-yl)methyl]triazol-4-yl]methanamine?
The IUPAC name of [1-[(4-bromothiophen-2-yl)methyl]triazol-4-yl]methanamine (CID 62054981) is [1-[(4-bromothiophen-2-yl)methyl]triazol-4-yl]methanamine.
What is the SMILES notation for [1-[(4-bromothiophen-2-yl)methyl]triazol-4-yl]methanamine?
The canonical SMILES for [1-[(4-bromothiophen-2-yl)methyl]triazol-4-yl]methanamine is NCc1cn(Cc2cc(Br)cs2)nn1.
What is the InChIKey of [1-[(4-bromothiophen-2-yl)methyl]triazol-4-yl]methanamine?
The InChIKey is NJKDWQKGADJAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN4S/c9-6-1-8(14-5-6)4-13-3-7(2-10)11-12-13/h1,3,5H,2,4,10H2.
What are the key properties of [1-[(4-bromothiophen-2-yl)methyl]triazol-4-yl]methanamine?
[1-[(4-bromothiophen-2-yl)methyl]triazol-4-yl]methanamine has a molecular weight of 273.16 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-bromothiophen-2-yl)methyl]triazol-4-yl]methanamine is sourced from PubChem (CID 62054981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).