2-hydroxy-2-[4-(1,2,4-triazol-1-yl)phenyl]acetic acid

C10H9N3O3 — CID 117311806

IUPAC2-hydroxy-2-[4-(1,2,4-triazol-1-yl)phenyl]acetic acid
SMILESO=C(O)C(O)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C10H9N3O3/c14-9(10(15)16)7-1-3-8(4-2-7)13-6-11-5-12-13/h1-6,9,14H,(H,15,16)
InChIKeyPVTAOJVSIHLWIB-UHFFFAOYSA-N
MW219.20 g/mol
LogP0.39
Rot. Bonds3

About 2-hydroxy-2-[4-(1,2,4-triazol-1-yl)phenyl]acetic acid

2-hydroxy-2-[4-(1,2,4-triazol-1-yl)phenyl]acetic acid (PubChem CID 117311806) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is 2-hydroxy-2-[4-(1,2,4-triazol-1-yl)phenyl]acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-[4-(1,2,4-triazol-1-yl)phenyl]acetic acid
PubChem CID117311806
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Name2-hydroxy-2-[4-(1,2,4-triazol-1-yl)phenyl]acetic acid
SMILESO=C(O)C(O)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C10H9N3O3/c14-9(10(15)16)7-1-3-8(4-2-7)13-6-11-5-12-13/h1-6,9,14H,(H,15,16)
InChIKeyPVTAOJVSIHLWIB-UHFFFAOYSA-N
XLogP0.39
TPSA88.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-[4-(1,2,4-triazol-1-yl)phenyl]propanoic acid
CID 82513030
[4-(1,2,4-triazol-1-yl)phenyl]carbamic acid
CID 66927702
2,3-dihydroxy-3-[4-(1,2,4-triazol-1-yl)phenyl]propanenitrile
CID 171871498
[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]azanium
CID 7128983
2-hydroxy-2-(4-imidazol-1-ylphenyl)acetic acid
CID 117310612
2-methylpropanoic acid;1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazole
CID 161225794
2-methyl-3-[[2-methyl-4-(1,2,4-triazol-1-yl)benzoyl]amino]propanoic acid
CID 119237737
1-[4-(3,3-dimethylbutan-2-yl)phenyl]-1,2,4-triazole
CID 59380837
2-(4-methylphenyl)-2-oxo-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 94448741
2-amino-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide;hydrochloride
CID 119271884
[(1S)-1-phenylethyl] 4-(1,2,4-triazol-1-yl)benzoate
CID 39954822
2,2-dimethyl-1-[4-(1,2,4-triazol-1-yl)phenyl]propan-1-one
CID 58252503

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[4-(1,2,4-triazol-1-yl)phenyl]acetic acid?
The IUPAC name of 2-hydroxy-2-[4-(1,2,4-triazol-1-yl)phenyl]acetic acid (CID 117311806) is 2-hydroxy-2-[4-(1,2,4-triazol-1-yl)phenyl]acetic acid.
What is the SMILES notation for 2-hydroxy-2-[4-(1,2,4-triazol-1-yl)phenyl]acetic acid?
The canonical SMILES for 2-hydroxy-2-[4-(1,2,4-triazol-1-yl)phenyl]acetic acid is O=C(O)C(O)c1ccc(-n2cncn2)cc1.
What is the InChIKey of 2-hydroxy-2-[4-(1,2,4-triazol-1-yl)phenyl]acetic acid?
The InChIKey is PVTAOJVSIHLWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c14-9(10(15)16)7-1-3-8(4-2-7)13-6-11-5-12-13/h1-6,9,14H,(H,15,16).
What are the key properties of 2-hydroxy-2-[4-(1,2,4-triazol-1-yl)phenyl]acetic acid?
2-hydroxy-2-[4-(1,2,4-triazol-1-yl)phenyl]acetic acid has a molecular weight of 219.20 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[4-(1,2,4-triazol-1-yl)phenyl]acetic acid is sourced from PubChem (CID 117311806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).