[1-[(4-bromophenyl)methyl]triazol-4-yl]methanol

C10H10BrN3O — CID 62400153

IUPAC[1-[(4-bromophenyl)methyl]triazol-4-yl]methanol
SMILESOCc1cn(Cc2ccc(Br)cc2)nn1
InChIInChI=1S/C10H10BrN3O/c11-9-3-1-8(2-4-9)5-14-6-10(7-15)12-13-14/h1-4,6,15H,5,7H2
InChIKeyIFPYJWMAQVYZTG-UHFFFAOYSA-N
MW268.11 g/mol
LogP1.58
Rot. Bonds3

About [1-[(4-bromophenyl)methyl]triazol-4-yl]methanol

[1-[(4-bromophenyl)methyl]triazol-4-yl]methanol (PubChem CID 62400153) has the molecular formula C10H10BrN3O and a molecular weight of 268.11 g/mol. Its IUPAC name is [1-[(4-bromophenyl)methyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(4-bromophenyl)methyl]triazol-4-yl]methanol
PubChem CID62400153
Molecular FormulaC10H10BrN3O
Molecular Weight268.11 g/mol
Exact Mass267.00
IUPAC Name[1-[(4-bromophenyl)methyl]triazol-4-yl]methanol
SMILESOCc1cn(Cc2ccc(Br)cc2)nn1
InChIInChI=1S/C10H10BrN3O/c11-9-3-1-8(2-4-9)5-14-6-10(7-15)12-13-14/h1-4,6,15H,5,7H2
InChIKeyIFPYJWMAQVYZTG-UHFFFAOYSA-N
XLogP1.58
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-bromophenyl)methyl]triazol-4-yl]methanol?
The IUPAC name of [1-[(4-bromophenyl)methyl]triazol-4-yl]methanol (CID 62400153) is [1-[(4-bromophenyl)methyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[(4-bromophenyl)methyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[(4-bromophenyl)methyl]triazol-4-yl]methanol is OCc1cn(Cc2ccc(Br)cc2)nn1.
What is the InChIKey of [1-[(4-bromophenyl)methyl]triazol-4-yl]methanol?
The InChIKey is IFPYJWMAQVYZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O/c11-9-3-1-8(2-4-9)5-14-6-10(7-15)12-13-14/h1-4,6,15H,5,7H2.
What are the key properties of [1-[(4-bromophenyl)methyl]triazol-4-yl]methanol?
[1-[(4-bromophenyl)methyl]triazol-4-yl]methanol has a molecular weight of 268.11 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-bromophenyl)methyl]triazol-4-yl]methanol is sourced from PubChem (CID 62400153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).