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

C9H10BrN3O2 — CID 81443927

IUPAC1-[1-[(5-bromofuran-2-yl)methyl]triazol-4-yl]ethanol
SMILESCC(O)c1cn(Cc2ccc(Br)o2)nn1
InChIInChI=1S/C9H10BrN3O2/c1-6(14)8-5-13(12-11-8)4-7-2-3-9(10)15-7/h2-3,5-6,14H,4H2,1H3
InChIKeyZJJKPXHKQGNLDC-UHFFFAOYSA-N
MW272.10 g/mol
LogP1.74
Rot. Bonds3

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

1-[1-[(5-bromofuran-2-yl)methyl]triazol-4-yl]ethanol (PubChem CID 81443927) has the molecular formula C9H10BrN3O2 and a molecular weight of 272.10 g/mol. Its IUPAC name is 1-[1-[(5-bromofuran-2-yl)methyl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(5-bromofuran-2-yl)methyl]triazol-4-yl]ethanol
PubChem CID81443927
Molecular FormulaC9H10BrN3O2
Molecular Weight272.10 g/mol
Exact Mass271.00
IUPAC Name1-[1-[(5-bromofuran-2-yl)methyl]triazol-4-yl]ethanol
SMILESCC(O)c1cn(Cc2ccc(Br)o2)nn1
InChIInChI=1S/C9H10BrN3O2/c1-6(14)8-5-13(12-11-8)4-7-2-3-9(10)15-7/h2-3,5-6,14H,4H2,1H3
InChIKeyZJJKPXHKQGNLDC-UHFFFAOYSA-N
XLogP1.74
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-bromofuran-2-yl)methyl]triazol-4-yl]ethanol?
The IUPAC name of 1-[1-[(5-bromofuran-2-yl)methyl]triazol-4-yl]ethanol (CID 81443927) is 1-[1-[(5-bromofuran-2-yl)methyl]triazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-[(5-bromofuran-2-yl)methyl]triazol-4-yl]ethanol?
The canonical SMILES for 1-[1-[(5-bromofuran-2-yl)methyl]triazol-4-yl]ethanol is CC(O)c1cn(Cc2ccc(Br)o2)nn1.
What is the InChIKey of 1-[1-[(5-bromofuran-2-yl)methyl]triazol-4-yl]ethanol?
The InChIKey is ZJJKPXHKQGNLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O2/c1-6(14)8-5-13(12-11-8)4-7-2-3-9(10)15-7/h2-3,5-6,14H,4H2,1H3.
What are the key properties of 1-[1-[(5-bromofuran-2-yl)methyl]triazol-4-yl]ethanol?
1-[1-[(5-bromofuran-2-yl)methyl]triazol-4-yl]ethanol has a molecular weight of 272.10 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-bromofuran-2-yl)methyl]triazol-4-yl]ethanol is sourced from PubChem (CID 81443927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).