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

C8H9BrN4S — CID 62055144

IUPAC[1-[(5-bromothiophen-3-yl)methyl]triazol-4-yl]methanamine
SMILESNCc1cn(Cc2csc(Br)c2)nn1
InChIInChI=1S/C8H9BrN4S/c9-8-1-6(5-14-8)3-13-4-7(2-10)11-12-13/h1,4-5H,2-3,10H2
InChIKeyJPJDMODUDBOJKQ-UHFFFAOYSA-N
MW273.16 g/mol
LogP1.61
Rot. Bonds3

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

[1-[(5-bromothiophen-3-yl)methyl]triazol-4-yl]methanamine (PubChem CID 62055144) has the molecular formula C8H9BrN4S and a molecular weight of 273.16 g/mol. Its IUPAC name is [1-[(5-bromothiophen-3-yl)methyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[(5-bromothiophen-3-yl)methyl]triazol-4-yl]methanamine
PubChem CID62055144
Molecular FormulaC8H9BrN4S
Molecular Weight273.16 g/mol
Exact Mass271.97
IUPAC Name[1-[(5-bromothiophen-3-yl)methyl]triazol-4-yl]methanamine
SMILESNCc1cn(Cc2csc(Br)c2)nn1
InChIInChI=1S/C8H9BrN4S/c9-8-1-6(5-14-8)3-13-4-7(2-10)11-12-13/h1,4-5H,2-3,10H2
InChIKeyJPJDMODUDBOJKQ-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-[(5-bromothiophen-3-yl)methyl]triazol-4-yl]methanamine with MolForge

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Related Compounds

N-methyl-1-{1-[1-(3-thienylmethyl)-4-piperidinyl]-1H-1,2,3-triazol-4-yl}methanamine bis(trifluoroacetate)
CID 31162386
4-(Methylsulfanylmethyl)-1-(thiophen-3-ylmethyl)triazole
CID 68515541
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-[(4-bromothiophen-2-yl)methyl]-1H-1,2,3-triazol-4-yl}methanamine
CID 62054981
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 [1-[(5-bromothiophen-3-yl)methyl]triazol-4-yl]methanamine?
The IUPAC name of [1-[(5-bromothiophen-3-yl)methyl]triazol-4-yl]methanamine (CID 62055144) is [1-[(5-bromothiophen-3-yl)methyl]triazol-4-yl]methanamine.
What is the SMILES notation for [1-[(5-bromothiophen-3-yl)methyl]triazol-4-yl]methanamine?
The canonical SMILES for [1-[(5-bromothiophen-3-yl)methyl]triazol-4-yl]methanamine is NCc1cn(Cc2csc(Br)c2)nn1.
What is the InChIKey of [1-[(5-bromothiophen-3-yl)methyl]triazol-4-yl]methanamine?
The InChIKey is JPJDMODUDBOJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN4S/c9-8-1-6(5-14-8)3-13-4-7(2-10)11-12-13/h1,4-5H,2-3,10H2.
What are the key properties of [1-[(5-bromothiophen-3-yl)methyl]triazol-4-yl]methanamine?
[1-[(5-bromothiophen-3-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-[(5-bromothiophen-3-yl)methyl]triazol-4-yl]methanamine is sourced from PubChem (CID 62055144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).