2-[1-(3-bromo-2-methylphenyl)triazol-4-yl]ethanol

C11H12BrN3O — CID 107627317

IUPAC2-[1-(3-bromo-2-methylphenyl)triazol-4-yl]ethanol
SMILESCc1c(Br)cccc1-n1cc(CCO)nn1
InChIInChI=1S/C11H12BrN3O/c1-8-10(12)3-2-4-11(8)15-7-9(5-6-16)13-14-15/h2-4,7,16H,5-6H2,1H3
InChIKeyNVTJCXVQVRZJEB-UHFFFAOYSA-N
MW282.14 g/mol
LogP1.87
Rot. Bonds3

About 2-[1-(3-bromo-2-methylphenyl)triazol-4-yl]ethanol

2-[1-(3-bromo-2-methylphenyl)triazol-4-yl]ethanol (PubChem CID 107627317) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is 2-[1-(3-bromo-2-methylphenyl)triazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-(3-bromo-2-methylphenyl)triazol-4-yl]ethanol
PubChem CID107627317
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name2-[1-(3-bromo-2-methylphenyl)triazol-4-yl]ethanol
SMILESCc1c(Br)cccc1-n1cc(CCO)nn1
InChIInChI=1S/C11H12BrN3O/c1-8-10(12)3-2-4-11(8)15-7-9(5-6-16)13-14-15/h2-4,7,16H,5-6H2,1H3
InChIKeyNVTJCXVQVRZJEB-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-bromo-2,3-dichlorophenyl)triazol-4-yl]ethanol
CID 107794056
4-(1-bromoethyl)-1-(3-bromo-2-methylphenyl)triazole
CID 107627363
2-[1-(2,4-dibromo-5-methoxyphenyl)triazol-4-yl]ethanol
CID 103416839
2-(1-phenyltriazol-4-yl)ethanol
CID 62400146
2-[1-[2-(difluoromethoxy)phenyl]triazol-4-yl]ethanol
CID 62402019
3-[1-(2-methyl-3-nitrophenyl)triazol-4-yl]propanoic acid
CID 107460470
2-[1-[2-methyl-5-(trifluoromethyl)phenyl]triazol-4-yl]ethanol
CID 66476996
2-[1-(3,4-dimethylphenyl)triazol-4-yl]ethanol
CID 62399390
4-(bromomethyl)-1-(2-methylphenyl)triazole
CID 62401939
2-[1-(6-chloro-2-pyridinyl)triazol-4-yl]ethanol
CID 59526244
2-[2-[2-[1-(2-methylphenyl)triazol-4-yl]ethyl]-1,3-dioxolan-2-yl]ethanol
CID 155962583
3-[1-(2-methyl-3-nitrophenyl)triazol-4-yl]propan-1-amine
CID 106220510

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-bromo-2-methylphenyl)triazol-4-yl]ethanol?
The IUPAC name of 2-[1-(3-bromo-2-methylphenyl)triazol-4-yl]ethanol (CID 107627317) is 2-[1-(3-bromo-2-methylphenyl)triazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-(3-bromo-2-methylphenyl)triazol-4-yl]ethanol?
The canonical SMILES for 2-[1-(3-bromo-2-methylphenyl)triazol-4-yl]ethanol is Cc1c(Br)cccc1-n1cc(CCO)nn1.
What is the InChIKey of 2-[1-(3-bromo-2-methylphenyl)triazol-4-yl]ethanol?
The InChIKey is NVTJCXVQVRZJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c1-8-10(12)3-2-4-11(8)15-7-9(5-6-16)13-14-15/h2-4,7,16H,5-6H2,1H3.
What are the key properties of 2-[1-(3-bromo-2-methylphenyl)triazol-4-yl]ethanol?
2-[1-(3-bromo-2-methylphenyl)triazol-4-yl]ethanol has a molecular weight of 282.14 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-bromo-2-methylphenyl)triazol-4-yl]ethanol is sourced from PubChem (CID 107627317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).