2-[1-(2-hydroxyphenyl)-1,2,4-triazol-3-yl]acetic acid

C10H9N3O3 — CID 115031136

IUPAC2-[1-(2-hydroxyphenyl)-1,2,4-triazol-3-yl]acetic acid
SMILESO=C(O)Cc1ncn(-c2ccccc2O)n1
InChIInChI=1S/C10H9N3O3/c14-8-4-2-1-3-7(8)13-6-11-9(12-13)5-10(15)16/h1-4,6,14H,5H2,(H,15,16)
InChIKeyUNHAEGBGEBMBOA-UHFFFAOYSA-N
MW219.20 g/mol
LogP0.60
Rot. Bonds3

About 2-[1-(2-hydroxyphenyl)-1,2,4-triazol-3-yl]acetic acid

2-[1-(2-hydroxyphenyl)-1,2,4-triazol-3-yl]acetic acid (PubChem CID 115031136) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is 2-[1-(2-hydroxyphenyl)-1,2,4-triazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-hydroxyphenyl)-1,2,4-triazol-3-yl]acetic acid
PubChem CID115031136
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Name2-[1-(2-hydroxyphenyl)-1,2,4-triazol-3-yl]acetic acid
SMILESO=C(O)Cc1ncn(-c2ccccc2O)n1
InChIInChI=1S/C10H9N3O3/c14-8-4-2-1-3-7(8)13-6-11-9(12-13)5-10(15)16/h1-4,6,14H,5H2,(H,15,16)
InChIKeyUNHAEGBGEBMBOA-UHFFFAOYSA-N
XLogP0.60
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 ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxyphenyl)-1,2,4-triazol-3-yl]acetic acid?
The IUPAC name of 2-[1-(2-hydroxyphenyl)-1,2,4-triazol-3-yl]acetic acid (CID 115031136) is 2-[1-(2-hydroxyphenyl)-1,2,4-triazol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-hydroxyphenyl)-1,2,4-triazol-3-yl]acetic acid?
The canonical SMILES for 2-[1-(2-hydroxyphenyl)-1,2,4-triazol-3-yl]acetic acid is O=C(O)Cc1ncn(-c2ccccc2O)n1.
What is the InChIKey of 2-[1-(2-hydroxyphenyl)-1,2,4-triazol-3-yl]acetic acid?
The InChIKey is UNHAEGBGEBMBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c14-8-4-2-1-3-7(8)13-6-11-9(12-13)5-10(15)16/h1-4,6,14H,5H2,(H,15,16).
What are the key properties of 2-[1-(2-hydroxyphenyl)-1,2,4-triazol-3-yl]acetic acid?
2-[1-(2-hydroxyphenyl)-1,2,4-triazol-3-yl]acetic acid has a molecular weight of 219.20 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxyphenyl)-1,2,4-triazol-3-yl]acetic acid is sourced from PubChem (CID 115031136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).