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

C4H5N3O3 — CID 105428407

IUPAC2-hydroxy-2-(1,2,4-triazol-1-yl)acetic acid
SMILESO=C(O)C(O)n1cncn1
InChIInChI=1S/C4H5N3O3/c8-3(4(9)10)7-2-5-1-6-7/h1-3,8H,(H,9,10)
InChIKeyAHMGWEOLNJUSQD-UHFFFAOYSA-N
MW143.10 g/mol
LogP-1.15
Rot. Bonds2

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

2-hydroxy-2-(1,2,4-triazol-1-yl)acetic acid (PubChem CID 105428407) has the molecular formula C4H5N3O3 and a molecular weight of 143.10 g/mol. Its IUPAC name is 2-hydroxy-2-(1,2,4-triazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-(1,2,4-triazol-1-yl)acetic acid
PubChem CID105428407
Molecular FormulaC4H5N3O3
Molecular Weight143.10 g/mol
Exact Mass143.03
IUPAC Name2-hydroxy-2-(1,2,4-triazol-1-yl)acetic acid
SMILESO=C(O)C(O)n1cncn1
InChIInChI=1S/C4H5N3O3/c8-3(4(9)10)7-2-5-1-6-7/h1-3,8H,(H,9,10)
InChIKeyAHMGWEOLNJUSQD-UHFFFAOYSA-N
XLogP-1.15
TPSA88.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.10
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(1,2,4-triazol-1-yl)acetic acid?
The IUPAC name of 2-hydroxy-2-(1,2,4-triazol-1-yl)acetic acid (CID 105428407) is 2-hydroxy-2-(1,2,4-triazol-1-yl)acetic acid.
What is the SMILES notation for 2-hydroxy-2-(1,2,4-triazol-1-yl)acetic acid?
The canonical SMILES for 2-hydroxy-2-(1,2,4-triazol-1-yl)acetic acid is O=C(O)C(O)n1cncn1.
What is the InChIKey of 2-hydroxy-2-(1,2,4-triazol-1-yl)acetic acid?
The InChIKey is AHMGWEOLNJUSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O3/c8-3(4(9)10)7-2-5-1-6-7/h1-3,8H,(H,9,10).
What are the key properties of 2-hydroxy-2-(1,2,4-triazol-1-yl)acetic acid?
2-hydroxy-2-(1,2,4-triazol-1-yl)acetic acid has a molecular weight of 143.10 g/mol, XLogP of -1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(1,2,4-triazol-1-yl)acetic acid is sourced from PubChem (CID 105428407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).