2-[1-(2,4-dibromo-5-methoxyphenyl)triazol-4-yl]ethanol

C11H11Br2N3O2 — CID 103416839

IUPAC2-[1-(2,4-dibromo-5-methoxyphenyl)triazol-4-yl]ethanol
SMILESCOc1cc(-n2cc(CCO)nn2)c(Br)cc1Br
InChIInChI=1S/C11H11Br2N3O2/c1-18-11-5-10(8(12)4-9(11)13)16-6-7(2-3-17)14-15-16/h4-6,17H,2-3H2,1H3
InChIKeyAQJWPRWNGFAUQQ-UHFFFAOYSA-N
MW377.04 g/mol
LogP2.34
Rot. Bonds4

About 2-[1-(2,4-dibromo-5-methoxyphenyl)triazol-4-yl]ethanol

2-[1-(2,4-dibromo-5-methoxyphenyl)triazol-4-yl]ethanol (PubChem CID 103416839) has the molecular formula C11H11Br2N3O2 and a molecular weight of 377.04 g/mol. Its IUPAC name is 2-[1-(2,4-dibromo-5-methoxyphenyl)triazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2,4-dibromo-5-methoxyphenyl)triazol-4-yl]ethanol
PubChem CID103416839
Molecular FormulaC11H11Br2N3O2
Molecular Weight377.04 g/mol
Exact Mass374.92
IUPAC Name2-[1-(2,4-dibromo-5-methoxyphenyl)triazol-4-yl]ethanol
SMILESCOc1cc(-n2cc(CCO)nn2)c(Br)cc1Br
InChIInChI=1S/C11H11Br2N3O2/c1-18-11-5-10(8(12)4-9(11)13)16-6-7(2-3-17)14-15-16/h4-6,17H,2-3H2,1H3
InChIKeyAQJWPRWNGFAUQQ-UHFFFAOYSA-N
XLogP2.34
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.04
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(2,4-dibromo-5-methoxyphenyl)triazol-4-yl]acetic acid
CID 107461227
2-[1-(3-bromo-2-methylphenyl)triazol-4-yl]ethanol
CID 107627317
2-[1-[(3-bromo-4-methoxyphenyl)methyl]triazol-4-yl]ethanol
CID 62401870
2-[1-(4-bromo-2,3-dichlorophenyl)triazol-4-yl]ethanol
CID 107794056
3-[1-(2-fluoro-5-methoxyphenyl)triazol-4-yl]propan-1-ol
CID 113374476
2-[1-(3,4-dimethylphenyl)triazol-4-yl]ethanol
CID 62399390
N-[[1-(4-bromo-3-methoxyphenyl)triazol-4-yl]methyl]propan-2-amine
CID 107623521
2-[1-[(4-bromo-2,5-dimethoxyphenyl)methyl]triazol-4-yl]ethanamine
CID 116641699
2-[1-[(4,5-dimethoxy-2-methylphenyl)methyl]triazol-4-yl]ethanol
CID 62400404
3-[1-(2-methoxyphenyl)triazol-4-yl]propan-1-amine
CID 84695827
2-[1-[2-(difluoromethoxy)phenyl]triazol-4-yl]ethanol
CID 62402019
2-[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)triazol-4-yl]ethanol
CID 114262782

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dibromo-5-methoxyphenyl)triazol-4-yl]ethanol?
The IUPAC name of 2-[1-(2,4-dibromo-5-methoxyphenyl)triazol-4-yl]ethanol (CID 103416839) is 2-[1-(2,4-dibromo-5-methoxyphenyl)triazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-(2,4-dibromo-5-methoxyphenyl)triazol-4-yl]ethanol?
The canonical SMILES for 2-[1-(2,4-dibromo-5-methoxyphenyl)triazol-4-yl]ethanol is COc1cc(-n2cc(CCO)nn2)c(Br)cc1Br.
What is the InChIKey of 2-[1-(2,4-dibromo-5-methoxyphenyl)triazol-4-yl]ethanol?
The InChIKey is AQJWPRWNGFAUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2N3O2/c1-18-11-5-10(8(12)4-9(11)13)16-6-7(2-3-17)14-15-16/h4-6,17H,2-3H2,1H3.
What are the key properties of 2-[1-(2,4-dibromo-5-methoxyphenyl)triazol-4-yl]ethanol?
2-[1-(2,4-dibromo-5-methoxyphenyl)triazol-4-yl]ethanol has a molecular weight of 377.04 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dibromo-5-methoxyphenyl)triazol-4-yl]ethanol is sourced from PubChem (CID 103416839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).