[1-(3-bromo-4-methylphenyl)-5-methyltriazol-4-yl]methanol

C11H12BrN3O — CID 82199878

IUPAC[1-(3-bromo-4-methylphenyl)-5-methyltriazol-4-yl]methanol
SMILESCc1ccc(-n2nnc(CO)c2C)cc1Br
InChIInChI=1S/C11H12BrN3O/c1-7-3-4-9(5-10(7)12)15-8(2)11(6-16)13-14-15/h3-5,16H,6H2,1-2H3
InChIKeyHAAXAMDQKZOELP-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.14
Rot. Bonds2

About [1-(3-bromo-4-methylphenyl)-5-methyltriazol-4-yl]methanol

[1-(3-bromo-4-methylphenyl)-5-methyltriazol-4-yl]methanol (PubChem CID 82199878) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is [1-(3-bromo-4-methylphenyl)-5-methyltriazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(3-bromo-4-methylphenyl)-5-methyltriazol-4-yl]methanol
PubChem CID82199878
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name[1-(3-bromo-4-methylphenyl)-5-methyltriazol-4-yl]methanol
SMILESCc1ccc(-n2nnc(CO)c2C)cc1Br
InChIInChI=1S/C11H12BrN3O/c1-7-3-4-9(5-10(7)12)15-8(2)11(6-16)13-14-15/h3-5,16H,6H2,1-2H3
InChIKeyHAAXAMDQKZOELP-UHFFFAOYSA-N
XLogP2.14
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-bromo-3-methylphenyl)-5-methyltriazol-4-yl]methanol
CID 112707778
[1-(3-ethylphenyl)-5-methyltriazol-4-yl]methanol
CID 94068870
[1-[3-fluoro-4-(methoxymethoxy)phenyl]-5-methyltriazol-4-yl]methanol
CID 163209340
[1-(4-bromophenyl)-5-tert-butyltriazol-4-yl]methanol
CID 94938695
[1-(3-bromophenyl)-5-propan-2-yltriazol-4-yl]methanol
CID 82196981
1-(3-bromo-4-methylphenyl)-5-tert-butyltriazole-4-carboxylic acid
CID 63334289
dimethyl 5-[4-(hydroxymethyl)-5-methyltriazol-1-yl]benzene-1,3-dicarboxylate
CID 82195000
butyl 3-[4-(hydroxymethyl)-5-methyltriazol-1-yl]benzoate
CID 82200494
3-[1-(3-bromo-4-methylphenyl)tetrazol-5-yl]propan-1-amine
CID 82228118
[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]methanamine
CID 28911796
[1-(3,4-dimethylphenyl)-5-(phenoxymethyl)triazol-4-yl]methanol
CID 94936961
[1-(3-methoxyphenyl)-5-(4-methylphenyl)triazol-4-yl]methanol
CID 56769452

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-4-methylphenyl)-5-methyltriazol-4-yl]methanol?
The IUPAC name of [1-(3-bromo-4-methylphenyl)-5-methyltriazol-4-yl]methanol (CID 82199878) is [1-(3-bromo-4-methylphenyl)-5-methyltriazol-4-yl]methanol.
What is the SMILES notation for [1-(3-bromo-4-methylphenyl)-5-methyltriazol-4-yl]methanol?
The canonical SMILES for [1-(3-bromo-4-methylphenyl)-5-methyltriazol-4-yl]methanol is Cc1ccc(-n2nnc(CO)c2C)cc1Br.
What is the InChIKey of [1-(3-bromo-4-methylphenyl)-5-methyltriazol-4-yl]methanol?
The InChIKey is HAAXAMDQKZOELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c1-7-3-4-9(5-10(7)12)15-8(2)11(6-16)13-14-15/h3-5,16H,6H2,1-2H3.
What are the key properties of [1-(3-bromo-4-methylphenyl)-5-methyltriazol-4-yl]methanol?
[1-(3-bromo-4-methylphenyl)-5-methyltriazol-4-yl]methanol has a molecular weight of 282.14 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-4-methylphenyl)-5-methyltriazol-4-yl]methanol is sourced from PubChem (CID 82199878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).