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

C9H11BrN4S — CID 82489655

IUPAC2-[5-(5-bromothiophen-2-yl)-1-methyl-1,2,4-triazol-3-yl]ethanamine
SMILESCn1nc(CCN)nc1-c1ccc(Br)s1
InChIInChI=1S/C9H11BrN4S/c1-14-9(6-2-3-7(10)15-6)12-8(13-14)4-5-11/h2-3H,4-5,11H2,1H3
InChIKeyHTQINMFFRNTFHR-UHFFFAOYSA-N
MW287.19 g/mol
LogP1.81
Rot. Bonds3

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

2-[5-(5-bromothiophen-2-yl)-1-methyl-1,2,4-triazol-3-yl]ethanamine (PubChem CID 82489655) has the molecular formula C9H11BrN4S and a molecular weight of 287.19 g/mol. Its IUPAC name is 2-[5-(5-bromothiophen-2-yl)-1-methyl-1,2,4-triazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(5-bromothiophen-2-yl)-1-methyl-1,2,4-triazol-3-yl]ethanamine
PubChem CID82489655
Molecular FormulaC9H11BrN4S
Molecular Weight287.19 g/mol
Exact Mass285.99
IUPAC Name2-[5-(5-bromothiophen-2-yl)-1-methyl-1,2,4-triazol-3-yl]ethanamine
SMILESCn1nc(CCN)nc1-c1ccc(Br)s1
InChIInChI=1S/C9H11BrN4S/c1-14-9(6-2-3-7(10)15-6)12-8(13-14)4-5-11/h2-3H,4-5,11H2,1H3
InChIKeyHTQINMFFRNTFHR-UHFFFAOYSA-N
XLogP1.81
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(5-bromothiophen-2-yl)-6-methylpyrimidin-2-yl]ethanamine
CID 82308235
2-[5-(4-fluorophenyl)-1-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82472579
2-[1-methyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]ethanamine
CID 82478690
4-[5-(2-aminoethyl)-2-methyl-1,2,4-triazol-3-yl]-N,N-dimethylaniline
CID 82479150
2-[1-methyl-5-(4-methylsulfanylphenyl)-1,2,4-triazol-3-yl]ethanamine
CID 82480386
2-[5-(5-bromothiophen-2-yl)-4-chloro-1-methylimidazol-2-yl]ethanamine
CID 84604351
2-[5-(4-fluoro-3-methylphenyl)-1-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82475862
2-[4-(5-bromothiophen-2-yl)-5-chloro-1-methylimidazol-2-yl]ethanamine
CID 84604360
2-[5-(4-ethoxyphenyl)-1-methyl-1,2,4-triazol-3-yl]ethanamine
CID 96662776
2-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)ethanamine
CID 82467863
4-[5-(5-bromothiophen-2-yl)tetrazol-1-yl]butan-1-amine
CID 106387339
[4-(5-bromothiophen-2-yl)-5-methyl-1H-imidazol-2-yl]methanamine
CID 82488404

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-bromothiophen-2-yl)-1-methyl-1,2,4-triazol-3-yl]ethanamine?
The IUPAC name of 2-[5-(5-bromothiophen-2-yl)-1-methyl-1,2,4-triazol-3-yl]ethanamine (CID 82489655) is 2-[5-(5-bromothiophen-2-yl)-1-methyl-1,2,4-triazol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-(5-bromothiophen-2-yl)-1-methyl-1,2,4-triazol-3-yl]ethanamine?
The canonical SMILES for 2-[5-(5-bromothiophen-2-yl)-1-methyl-1,2,4-triazol-3-yl]ethanamine is Cn1nc(CCN)nc1-c1ccc(Br)s1.
What is the InChIKey of 2-[5-(5-bromothiophen-2-yl)-1-methyl-1,2,4-triazol-3-yl]ethanamine?
The InChIKey is HTQINMFFRNTFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN4S/c1-14-9(6-2-3-7(10)15-6)12-8(13-14)4-5-11/h2-3H,4-5,11H2,1H3.
What are the key properties of 2-[5-(5-bromothiophen-2-yl)-1-methyl-1,2,4-triazol-3-yl]ethanamine?
2-[5-(5-bromothiophen-2-yl)-1-methyl-1,2,4-triazol-3-yl]ethanamine has a molecular weight of 287.19 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-bromothiophen-2-yl)-1-methyl-1,2,4-triazol-3-yl]ethanamine is sourced from PubChem (CID 82489655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).