3-[1-(2,6-dibromo-4-chlorophenyl)triazol-4-yl]propan-1-ol

C11H10Br2ClN3O — CID 114209227

IUPAC3-[1-(2,6-dibromo-4-chlorophenyl)triazol-4-yl]propan-1-ol
SMILESOCCCc1cn(-c2c(Br)cc(Cl)cc2Br)nn1
InChIInChI=1S/C11H10Br2ClN3O/c12-9-4-7(14)5-10(13)11(9)17-6-8(15-16-17)2-1-3-18/h4-6,18H,1-3H2
InChIKeyHALYIIQVEQCECY-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.37
Rot. Bonds4

About 3-[1-(2,6-dibromo-4-chlorophenyl)triazol-4-yl]propan-1-ol

3-[1-(2,6-dibromo-4-chlorophenyl)triazol-4-yl]propan-1-ol (PubChem CID 114209227) has the molecular formula C11H10Br2ClN3O and a molecular weight of 395.48 g/mol. Its IUPAC name is 3-[1-(2,6-dibromo-4-chlorophenyl)triazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(2,6-dibromo-4-chlorophenyl)triazol-4-yl]propan-1-ol
PubChem CID114209227
Molecular FormulaC11H10Br2ClN3O
Molecular Weight395.48 g/mol
Exact Mass392.89
IUPAC Name3-[1-(2,6-dibromo-4-chlorophenyl)triazol-4-yl]propan-1-ol
SMILESOCCCc1cn(-c2c(Br)cc(Cl)cc2Br)nn1
InChIInChI=1S/C11H10Br2ClN3O/c12-9-4-7(14)5-10(13)11(9)17-6-8(15-16-17)2-1-3-18/h4-6,18H,1-3H2
InChIKeyHALYIIQVEQCECY-UHFFFAOYSA-N
XLogP3.37
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2,4,6-trichlorophenyl)triazol-4-yl]ethanol
CID 62401649
3-[1-(4-bromo-2-chlorophenyl)triazol-4-yl]propan-1-ol
CID 113374469
4-(chloromethyl)-1-(2,4,6-tribromophenyl)triazole
CID 63489581
3-[1-(4-bromo-3-fluorophenyl)triazol-4-yl]propan-1-ol
CID 113374472
3-[1-(3,4-difluorophenyl)triazol-4-yl]propan-1-ol
CID 113374463
2-[1-(4-bromo-2,3-dichlorophenyl)triazol-4-yl]ethanol
CID 107794056
[1-(2,4,6-tribromophenyl)triazol-4-yl]methanamine
CID 62053597
[1-(4-bromo-2,6-dichlorophenyl)triazol-4-yl]methanol
CID 62401832
3-[1-(3,4-dimethylphenyl)triazol-4-yl]propan-1-ol
CID 113374462
3-[1-(2-fluoro-5-methoxyphenyl)triazol-4-yl]propan-1-ol
CID 113374476
N-[[1-(2,4,6-tribromophenyl)triazol-4-yl]methyl]propan-2-amine
CID 66207291
1-(4-bromo-2,6-dichlorophenyl)-4-(chloromethyl)triazole
CID 62399680

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,6-dibromo-4-chlorophenyl)triazol-4-yl]propan-1-ol?
The IUPAC name of 3-[1-(2,6-dibromo-4-chlorophenyl)triazol-4-yl]propan-1-ol (CID 114209227) is 3-[1-(2,6-dibromo-4-chlorophenyl)triazol-4-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(2,6-dibromo-4-chlorophenyl)triazol-4-yl]propan-1-ol?
The canonical SMILES for 3-[1-(2,6-dibromo-4-chlorophenyl)triazol-4-yl]propan-1-ol is OCCCc1cn(-c2c(Br)cc(Cl)cc2Br)nn1.
What is the InChIKey of 3-[1-(2,6-dibromo-4-chlorophenyl)triazol-4-yl]propan-1-ol?
The InChIKey is HALYIIQVEQCECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2ClN3O/c12-9-4-7(14)5-10(13)11(9)17-6-8(15-16-17)2-1-3-18/h4-6,18H,1-3H2.
What are the key properties of 3-[1-(2,6-dibromo-4-chlorophenyl)triazol-4-yl]propan-1-ol?
3-[1-(2,6-dibromo-4-chlorophenyl)triazol-4-yl]propan-1-ol has a molecular weight of 395.48 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,6-dibromo-4-chlorophenyl)triazol-4-yl]propan-1-ol is sourced from PubChem (CID 114209227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).