3-hydroxy-2-(5-oxo-1H-1,2,4-triazol-4-yl)propanoic acid

C5H7N3O4 — CID 107410360

IUPAC3-hydroxy-2-(5-oxo-1H-1,2,4-triazol-4-yl)propanoic acid
SMILESO=C(O)C(CO)n1cn[nH]c1=O
InChIInChI=1S/C5H7N3O4/c9-1-3(4(10)11)8-2-6-7-5(8)12/h2-3,9H,1H2,(H,7,12)(H,10,11)
InChIKeyCHUQOBWBEOWIJG-UHFFFAOYSA-N
MW173.13 g/mol
LogP-1.81
Rot. Bonds3

About 3-hydroxy-2-(5-oxo-1H-1,2,4-triazol-4-yl)propanoic acid

3-hydroxy-2-(5-oxo-1H-1,2,4-triazol-4-yl)propanoic acid (PubChem CID 107410360) has the molecular formula C5H7N3O4 and a molecular weight of 173.13 g/mol. Its IUPAC name is 3-hydroxy-2-(5-oxo-1H-1,2,4-triazol-4-yl)propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-(5-oxo-1H-1,2,4-triazol-4-yl)propanoic acid
PubChem CID107410360
Molecular FormulaC5H7N3O4
Molecular Weight173.13 g/mol
Exact Mass173.04
IUPAC Name3-hydroxy-2-(5-oxo-1H-1,2,4-triazol-4-yl)propanoic acid
SMILESO=C(O)C(CO)n1cn[nH]c1=O
InChIInChI=1S/C5H7N3O4/c9-1-3(4(10)11)8-2-6-7-5(8)12/h2-3,9H,1H2,(H,7,12)(H,10,11)
InChIKeyCHUQOBWBEOWIJG-UHFFFAOYSA-N
XLogP-1.81
TPSA108.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.13
LogP ≤ 5-1.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-oxo-1H-1,2,4-triazol-4-yl)propanoic acid
CID 107410225
3-methoxy-2-(5-oxo-1H-1,2,4-triazol-4-yl)propanoic acid
CID 107410385

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(5-oxo-1H-1,2,4-triazol-4-yl)propanoic acid?
The IUPAC name of 3-hydroxy-2-(5-oxo-1H-1,2,4-triazol-4-yl)propanoic acid (CID 107410360) is 3-hydroxy-2-(5-oxo-1H-1,2,4-triazol-4-yl)propanoic acid.
What is the SMILES notation for 3-hydroxy-2-(5-oxo-1H-1,2,4-triazol-4-yl)propanoic acid?
The canonical SMILES for 3-hydroxy-2-(5-oxo-1H-1,2,4-triazol-4-yl)propanoic acid is O=C(O)C(CO)n1cn[nH]c1=O.
What is the InChIKey of 3-hydroxy-2-(5-oxo-1H-1,2,4-triazol-4-yl)propanoic acid?
The InChIKey is CHUQOBWBEOWIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O4/c9-1-3(4(10)11)8-2-6-7-5(8)12/h2-3,9H,1H2,(H,7,12)(H,10,11).
What are the key properties of 3-hydroxy-2-(5-oxo-1H-1,2,4-triazol-4-yl)propanoic acid?
3-hydroxy-2-(5-oxo-1H-1,2,4-triazol-4-yl)propanoic acid has a molecular weight of 173.13 g/mol, XLogP of -1.81, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(5-oxo-1H-1,2,4-triazol-4-yl)propanoic acid is sourced from PubChem (CID 107410360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).