3-[1-(4-bromo-2-chlorophenyl)triazol-4-yl]propan-1-ol

C11H11BrClN3O — CID 113374469

IUPAC3-[1-(4-bromo-2-chlorophenyl)triazol-4-yl]propan-1-ol
SMILESOCCCc1cn(-c2ccc(Br)cc2Cl)nn1
InChIInChI=1S/C11H11BrClN3O/c12-8-3-4-11(10(13)6-8)16-7-9(14-15-16)2-1-5-17/h3-4,6-7,17H,1-2,5H2
InChIKeyZFZRVKXKGFDCNW-UHFFFAOYSA-N
MW316.59 g/mol
LogP2.61
Rot. Bonds4

About 3-[1-(4-bromo-2-chlorophenyl)triazol-4-yl]propan-1-ol

3-[1-(4-bromo-2-chlorophenyl)triazol-4-yl]propan-1-ol (PubChem CID 113374469) has the molecular formula C11H11BrClN3O and a molecular weight of 316.59 g/mol. Its IUPAC name is 3-[1-(4-bromo-2-chlorophenyl)triazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(4-bromo-2-chlorophenyl)triazol-4-yl]propan-1-ol
PubChem CID113374469
Molecular FormulaC11H11BrClN3O
Molecular Weight316.59 g/mol
Exact Mass314.98
IUPAC Name3-[1-(4-bromo-2-chlorophenyl)triazol-4-yl]propan-1-ol
SMILESOCCCc1cn(-c2ccc(Br)cc2Cl)nn1
InChIInChI=1S/C11H11BrClN3O/c12-8-3-4-11(10(13)6-8)16-7-9(14-15-16)2-1-5-17/h3-4,6-7,17H,1-2,5H2
InChIKeyZFZRVKXKGFDCNW-UHFFFAOYSA-N
XLogP2.61
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.59
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(5-bromo-2-chlorophenyl)triazol-4-yl]methanol
CID 62907899
N-[[1-(4-bromo-2-chlorophenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66206890
3-[1-(2,6-dibromo-4-chlorophenyl)triazol-4-yl]propan-1-ol
CID 114209227
2-[1-(4-bromo-2,3-dichlorophenyl)triazol-4-yl]ethanol
CID 107794056
N-[[1-(4-bromo-2-chlorophenyl)triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66206892
5-[1-(2-chloro-4-methylphenyl)triazol-4-yl]pentanoic acid
CID 104538550
1-(4-bromo-2-chlorophenyl)triazole-4-carboxylic acid
CID 43347403
5-[1-(2,4-dibromophenyl)triazol-4-yl]pentanoic acid
CID 104538602
1-(4-bromo-2-methylphenyl)-4-(chloromethyl)triazole
CID 81288012
2-[1-(2-chloro-4-iodophenyl)triazol-4-yl]ethanamine
CID 107607856
3-[1-(4-bromo-3-fluorophenyl)triazol-4-yl]propan-1-ol
CID 113374472
[1-(4-bromo-2,6-dichlorophenyl)triazol-4-yl]methanol
CID 62401832

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-bromo-2-chlorophenyl)triazol-4-yl]propan-1-ol?
The IUPAC name of 3-[1-(4-bromo-2-chlorophenyl)triazol-4-yl]propan-1-ol (CID 113374469) is 3-[1-(4-bromo-2-chlorophenyl)triazol-4-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(4-bromo-2-chlorophenyl)triazol-4-yl]propan-1-ol?
The canonical SMILES for 3-[1-(4-bromo-2-chlorophenyl)triazol-4-yl]propan-1-ol is OCCCc1cn(-c2ccc(Br)cc2Cl)nn1.
What is the InChIKey of 3-[1-(4-bromo-2-chlorophenyl)triazol-4-yl]propan-1-ol?
The InChIKey is ZFZRVKXKGFDCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClN3O/c12-8-3-4-11(10(13)6-8)16-7-9(14-15-16)2-1-5-17/h3-4,6-7,17H,1-2,5H2.
What are the key properties of 3-[1-(4-bromo-2-chlorophenyl)triazol-4-yl]propan-1-ol?
3-[1-(4-bromo-2-chlorophenyl)triazol-4-yl]propan-1-ol has a molecular weight of 316.59 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-bromo-2-chlorophenyl)triazol-4-yl]propan-1-ol is sourced from PubChem (CID 113374469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).