1-(5-bromofuran-2-yl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine

C11H15BrN4O — CID 104653002

IUPAC1-(5-bromofuran-2-yl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
SMILESCC(NCCc1nncn1C)c1ccc(Br)o1
InChIInChI=1S/C11H15BrN4O/c1-8(9-3-4-10(12)17-9)13-6-5-11-15-14-7-16(11)2/h3-4,7-8,13H,5-6H2,1-2H3
InChIKeyXJKOLHLARBJOML-UHFFFAOYSA-N
MW299.17 g/mol
LogP2.06
Rot. Bonds5

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

1-(5-bromofuran-2-yl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine (PubChem CID 104653002) has the molecular formula C11H15BrN4O and a molecular weight of 299.17 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
PubChem CID104653002
Molecular FormulaC11H15BrN4O
Molecular Weight299.17 g/mol
Exact Mass298.04
IUPAC Name1-(5-bromofuran-2-yl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
SMILESCC(NCCc1nncn1C)c1ccc(Br)o1
InChIInChI=1S/C11H15BrN4O/c1-8(9-3-4-10(12)17-9)13-6-5-11-15-14-7-16(11)2/h3-4,7-8,13H,5-6H2,1-2H3
InChIKeyXJKOLHLARBJOML-UHFFFAOYSA-N
XLogP2.06
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-bromofuran-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine
CID 104652141
1-(5-bromo-2-fluorophenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
CID 82962932
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-naphthalen-1-ylethanamine
CID 63329032
N-[1-(5-bromofuran-2-yl)ethyl]but-3-yn-1-amine
CID 104653023
methyl 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanoate
CID 63332871
4-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]butan-2-amine
CID 63332509
1-(3-methoxyphenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
CID 63328676
N-(dicyclopropylmethyl)-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 63329245
N-tert-butyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide
CID 55202094
N-[(4,5-dibromofuran-2-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 55202670
N-[1-(5-bromofuran-2-yl)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 113437435
1-(3-methyl-1-benzothiophen-2-yl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
CID 63332721

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine?
The IUPAC name of 1-(5-bromofuran-2-yl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine (CID 104653002) is 1-(5-bromofuran-2-yl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine?
The canonical SMILES for 1-(5-bromofuran-2-yl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine is CC(NCCc1nncn1C)c1ccc(Br)o1.
What is the InChIKey of 1-(5-bromofuran-2-yl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine?
The InChIKey is XJKOLHLARBJOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4O/c1-8(9-3-4-10(12)17-9)13-6-5-11-15-14-7-16(11)2/h3-4,7-8,13H,5-6H2,1-2H3.
What are the key properties of 1-(5-bromofuran-2-yl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine?
1-(5-bromofuran-2-yl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine has a molecular weight of 299.17 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine is sourced from PubChem (CID 104653002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).