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

C10H13BrN4O — CID 66192534

IUPACN-[[1-[(5-bromofuran-2-yl)methyl]triazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(Cc2ccc(Br)o2)nn1
InChIInChI=1S/C10H13BrN4O/c1-2-12-5-8-6-15(14-13-8)7-9-3-4-10(11)16-9/h3-4,6,12H,2,5,7H2,1H3
InChIKeyNRYIHFVKYQJQOB-UHFFFAOYSA-N
MW285.14 g/mol
LogP1.79
Rot. Bonds5

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

N-[[1-[(5-bromofuran-2-yl)methyl]triazol-4-yl]methyl]ethanamine (PubChem CID 66192534) has the molecular formula C10H13BrN4O and a molecular weight of 285.14 g/mol. Its IUPAC name is N-[[1-[(5-bromofuran-2-yl)methyl]triazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(5-bromofuran-2-yl)methyl]triazol-4-yl]methyl]ethanamine
PubChem CID66192534
Molecular FormulaC10H13BrN4O
Molecular Weight285.14 g/mol
Exact Mass284.03
IUPAC NameN-[[1-[(5-bromofuran-2-yl)methyl]triazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(Cc2ccc(Br)o2)nn1
InChIInChI=1S/C10H13BrN4O/c1-2-12-5-8-6-15(14-13-8)7-9-3-4-10(11)16-9/h3-4,6,12H,2,5,7H2,1H3
InChIKeyNRYIHFVKYQJQOB-UHFFFAOYSA-N
XLogP1.79
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-bromofuran-2-yl)methyl]triazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(5-bromofuran-2-yl)methyl]triazol-4-yl]methyl]ethanamine (CID 66192534) is N-[[1-[(5-bromofuran-2-yl)methyl]triazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(5-bromofuran-2-yl)methyl]triazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(5-bromofuran-2-yl)methyl]triazol-4-yl]methyl]ethanamine is CCNCc1cn(Cc2ccc(Br)o2)nn1.
What is the InChIKey of N-[[1-[(5-bromofuran-2-yl)methyl]triazol-4-yl]methyl]ethanamine?
The InChIKey is NRYIHFVKYQJQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN4O/c1-2-12-5-8-6-15(14-13-8)7-9-3-4-10(11)16-9/h3-4,6,12H,2,5,7H2,1H3.
What are the key properties of N-[[1-[(5-bromofuran-2-yl)methyl]triazol-4-yl]methyl]ethanamine?
N-[[1-[(5-bromofuran-2-yl)methyl]triazol-4-yl]methyl]ethanamine has a molecular weight of 285.14 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-bromofuran-2-yl)methyl]triazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 66192534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).