2-[3-(2-hydroxyphenyl)triazol-4-yl]-2-methylpropanoic acid

C12H13N3O3 — CID 117167165

IUPAC2-[3-(2-hydroxyphenyl)triazol-4-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1cnnn1-c1ccccc1O
InChIInChI=1S/C12H13N3O3/c1-12(2,11(17)18)10-7-13-14-15(10)8-5-3-4-6-9(8)16/h3-7,16H,1-2H3,(H,17,18)
InChIKeyMSHZWAISLFLFEY-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.34
Rot. Bonds3

About 2-[3-(2-hydroxyphenyl)triazol-4-yl]-2-methylpropanoic acid

2-[3-(2-hydroxyphenyl)triazol-4-yl]-2-methylpropanoic acid (PubChem CID 117167165) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-[3-(2-hydroxyphenyl)triazol-4-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[3-(2-hydroxyphenyl)triazol-4-yl]-2-methylpropanoic acid
PubChem CID117167165
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name2-[3-(2-hydroxyphenyl)triazol-4-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1cnnn1-c1ccccc1O
InChIInChI=1S/C12H13N3O3/c1-12(2,11(17)18)10-7-13-14-15(10)8-5-3-4-6-9(8)16/h3-7,16H,1-2H3,(H,17,18)
InChIKeyMSHZWAISLFLFEY-UHFFFAOYSA-N
XLogP1.34
TPSA88.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-2-(3-phenyltriazol-4-yl)propanoic acid
CID 114690024
3-[3-(2-hydroxyphenyl)triazol-4-yl]-2,2-dimethylpropanoic acid
CID 117167179
2-[5-[1-(methylamino)ethyl]triazol-1-yl]phenol
CID 117167122
3-methyl-3-(3-phenyltriazol-4-yl)butanoic acid
CID 114691347
2,2-dimethyl-3-[3-(2-methylphenyl)triazol-4-yl]propanoic acid
CID 117167171
3-(2-hydroxyphenyl)triazole-4-carbonitrile
CID 84660466
carbonic acid;2-(3,5-dimethylpyrazol-1-yl)phenol
CID 118510416
2-[3-(2-methylphenyl)triazol-4-yl]acetic acid
CID 43671526
2,6-dimethyl-4-(3-phenyltriazol-4-yl)heptan-4-ol
CID 114865283
5-ethyl-1-(2-hydroxyphenyl)triazole-4-carboxylic acid
CID 105492249
4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]phenol
CID 117167347
2-methyl-2-(2-methylpyrazol-3-yl)propanoic acid
CID 63963504

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-hydroxyphenyl)triazol-4-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[3-(2-hydroxyphenyl)triazol-4-yl]-2-methylpropanoic acid (CID 117167165) is 2-[3-(2-hydroxyphenyl)triazol-4-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[3-(2-hydroxyphenyl)triazol-4-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[3-(2-hydroxyphenyl)triazol-4-yl]-2-methylpropanoic acid is CC(C)(C(=O)O)c1cnnn1-c1ccccc1O.
What is the InChIKey of 2-[3-(2-hydroxyphenyl)triazol-4-yl]-2-methylpropanoic acid?
The InChIKey is MSHZWAISLFLFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-12(2,11(17)18)10-7-13-14-15(10)8-5-3-4-6-9(8)16/h3-7,16H,1-2H3,(H,17,18).
What are the key properties of 2-[3-(2-hydroxyphenyl)triazol-4-yl]-2-methylpropanoic acid?
2-[3-(2-hydroxyphenyl)triazol-4-yl]-2-methylpropanoic acid has a molecular weight of 247.25 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-hydroxyphenyl)triazol-4-yl]-2-methylpropanoic acid is sourced from PubChem (CID 117167165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).