2-[5-(4-hydroxyphenyl)triazol-1-yl]acetic acid

C10H9N3O3 — CID 136999521

IUPAC2-[5-(4-hydroxyphenyl)triazol-1-yl]acetic acid
SMILESO=C(O)Cn1nncc1-c1ccc(O)cc1
InChIInChI=1S/C10H9N3O3/c14-8-3-1-7(2-4-8)9-5-11-12-13(9)6-10(15)16/h1-5,14H,6H2,(H,15,16)
InChIKeyPMVWRURKCBFORO-UHFFFAOYSA-N
MW219.20 g/mol
LogP0.74
Rot. Bonds3

About 2-[5-(4-hydroxyphenyl)triazol-1-yl]acetic acid

2-[5-(4-hydroxyphenyl)triazol-1-yl]acetic acid (PubChem CID 136999521) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is 2-[5-(4-hydroxyphenyl)triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(4-hydroxyphenyl)triazol-1-yl]acetic acid
PubChem CID136999521
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Name2-[5-(4-hydroxyphenyl)triazol-1-yl]acetic acid
SMILESO=C(O)Cn1nncc1-c1ccc(O)cc1
InChIInChI=1S/C10H9N3O3/c14-8-3-1-7(2-4-8)9-5-11-12-13(9)6-10(15)16/h1-5,14H,6H2,(H,15,16)
InChIKeyPMVWRURKCBFORO-UHFFFAOYSA-N
XLogP0.74
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 ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-hydroxyphenyl)triazol-1-yl]acetic acid?
The IUPAC name of 2-[5-(4-hydroxyphenyl)triazol-1-yl]acetic acid (CID 136999521) is 2-[5-(4-hydroxyphenyl)triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-(4-hydroxyphenyl)triazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-(4-hydroxyphenyl)triazol-1-yl]acetic acid is O=C(O)Cn1nncc1-c1ccc(O)cc1.
What is the InChIKey of 2-[5-(4-hydroxyphenyl)triazol-1-yl]acetic acid?
The InChIKey is PMVWRURKCBFORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c14-8-3-1-7(2-4-8)9-5-11-12-13(9)6-10(15)16/h1-5,14H,6H2,(H,15,16).
What are the key properties of 2-[5-(4-hydroxyphenyl)triazol-1-yl]acetic acid?
2-[5-(4-hydroxyphenyl)triazol-1-yl]acetic acid has a molecular weight of 219.20 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-hydroxyphenyl)triazol-1-yl]acetic acid is sourced from PubChem (CID 136999521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).