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

C11H12BrN3O — CID 117167563

IUPAC1-[1-(3-bromophenyl)triazol-4-yl]propan-2-ol
SMILESCC(O)Cc1cn(-c2cccc(Br)c2)nn1
InChIInChI=1S/C11H12BrN3O/c1-8(16)5-10-7-15(14-13-10)11-4-2-3-9(12)6-11/h2-4,6-8,16H,5H2,1H3
InChIKeyVCCPFPODANIRAM-UHFFFAOYSA-N
MW282.14 g/mol
LogP1.95
Rot. Bonds3

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

1-[1-(3-bromophenyl)triazol-4-yl]propan-2-ol (PubChem CID 117167563) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is 1-[1-(3-bromophenyl)triazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-(3-bromophenyl)triazol-4-yl]propan-2-ol
PubChem CID117167563
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name1-[1-(3-bromophenyl)triazol-4-yl]propan-2-ol
SMILESCC(O)Cc1cn(-c2cccc(Br)c2)nn1
InChIInChI=1S/C11H12BrN3O/c1-8(16)5-10-7-15(14-13-10)11-4-2-3-9(12)6-11/h2-4,6-8,16H,5H2,1H3
InChIKeyVCCPFPODANIRAM-UHFFFAOYSA-N
XLogP1.95
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(3-bromophenyl)triazol-4-yl]-2-methylpropan-2-ol
CID 117167588
3-[1-(3-bromophenyl)triazol-4-yl]propan-1-amine
CID 106220469
1-[1-(2-fluoro-3-methylphenyl)triazol-4-yl]propan-2-ol
CID 139020849
1-[1-(2-chlorophenyl)triazol-4-yl]propan-2-ol
CID 117167437
1-[1-(3-methoxyphenyl)triazol-4-yl]-N-methylpropan-2-amine
CID 117167633
N-[[1-(3-bromophenyl)triazol-4-yl]methyl]-N-methyl-1-(1H-pyrazol-5-yl)methanamine
CID 131962780
[1-[3-(difluoromethyl)phenyl]triazol-4-yl]methanamine
CID 130302363
4-(2-bromoethyl)-1-(3-propan-2-ylphenyl)triazole
CID 62401549
4-(chloromethyl)-1-(3-propan-2-ylphenyl)triazole
CID 62401363
1-(3-bromophenyl)-4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazole
CID 162658624
(2R)-1-[4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95610792
N-[[1-(3-bromo-4-methylphenyl)triazol-4-yl]methyl]ethanamine
CID 66204480

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-bromophenyl)triazol-4-yl]propan-2-ol?
The IUPAC name of 1-[1-(3-bromophenyl)triazol-4-yl]propan-2-ol (CID 117167563) is 1-[1-(3-bromophenyl)triazol-4-yl]propan-2-ol.
What is the SMILES notation for 1-[1-(3-bromophenyl)triazol-4-yl]propan-2-ol?
The canonical SMILES for 1-[1-(3-bromophenyl)triazol-4-yl]propan-2-ol is CC(O)Cc1cn(-c2cccc(Br)c2)nn1.
What is the InChIKey of 1-[1-(3-bromophenyl)triazol-4-yl]propan-2-ol?
The InChIKey is VCCPFPODANIRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c1-8(16)5-10-7-15(14-13-10)11-4-2-3-9(12)6-11/h2-4,6-8,16H,5H2,1H3.
What are the key properties of 1-[1-(3-bromophenyl)triazol-4-yl]propan-2-ol?
1-[1-(3-bromophenyl)triazol-4-yl]propan-2-ol has a molecular weight of 282.14 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-bromophenyl)triazol-4-yl]propan-2-ol is sourced from PubChem (CID 117167563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).