1-(2,4-dibromophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol

C11H11Br2N3O — CID 107947585

IUPAC1-(2,4-dibromophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
SMILESCn1ncnc1CC(O)c1ccc(Br)cc1Br
InChIInChI=1S/C11H11Br2N3O/c1-16-11(14-6-15-16)5-10(17)8-3-2-7(12)4-9(8)13/h2-4,6,10,17H,5H2,1H3
InChIKeyQVIDXWJSDVONRO-UHFFFAOYSA-N
MW361.04 g/mol
LogP2.62
Rot. Bonds3

About 1-(2,4-dibromophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol

1-(2,4-dibromophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol (PubChem CID 107947585) has the molecular formula C11H11Br2N3O and a molecular weight of 361.04 g/mol. Its IUPAC name is 1-(2,4-dibromophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(2,4-dibromophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
PubChem CID107947585
Molecular FormulaC11H11Br2N3O
Molecular Weight361.04 g/mol
Exact Mass358.93
IUPAC Name1-(2,4-dibromophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
SMILESCn1ncnc1CC(O)c1ccc(Br)cc1Br
InChIInChI=1S/C11H11Br2N3O/c1-16-11(14-6-15-16)5-10(17)8-3-2-7(12)4-9(8)13/h2-4,6,10,17H,5H2,1H3
InChIKeyQVIDXWJSDVONRO-UHFFFAOYSA-N
XLogP2.62
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.04
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dibromophenyl)-N-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 107946144
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2,4-dibromophenyl)ethanol
CID 107947600
1-(2,4-dibromophenyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 107947322
1-(2-methylsulfanylphenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
CID 115812649
1-(2-amino-5-fluorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
CID 82685780
1-(2-methyl-4-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
CID 106756246
1-[4-bromo-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]-N-methylethanamine
CID 102947338
2-(2-methyl-1,2,4-triazol-3-yl)-1-quinolin-5-ylethanol
CID 105107161
2-(2-methyl-1,2,4-triazol-3-yl)-1-pyridazin-4-ylethanol
CID 105107071
1-(4-bromo-2-methylphenyl)-2-(1-methylimidazol-2-yl)ethanol
CID 115820394
1-(2,4-dibromophenyl)-2-(4-fluorophenyl)ethanol
CID 107947257
1-(2,4-dibromophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanol
CID 107947608

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol?
The IUPAC name of 1-(2,4-dibromophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol (CID 107947585) is 1-(2,4-dibromophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol.
What is the SMILES notation for 1-(2,4-dibromophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol?
The canonical SMILES for 1-(2,4-dibromophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol is Cn1ncnc1CC(O)c1ccc(Br)cc1Br.
What is the InChIKey of 1-(2,4-dibromophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol?
The InChIKey is QVIDXWJSDVONRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2N3O/c1-16-11(14-6-15-16)5-10(17)8-3-2-7(12)4-9(8)13/h2-4,6,10,17H,5H2,1H3.
What are the key properties of 1-(2,4-dibromophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol?
1-(2,4-dibromophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol has a molecular weight of 361.04 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol is sourced from PubChem (CID 107947585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).