2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetic acid

C4H5N3O3 — CID 135786545

IUPAC2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetic acid
SMILESO=C(O)Cc1n[nH]c(=O)[nH]1
InChIInChI=1S/C4H5N3O3/c8-3(9)1-2-5-4(10)7-6-2/h1H2,(H,8,9)(H2,5,6,7,10)
InChIKeyAWGDAHKJDXJEOJ-UHFFFAOYSA-N
MW143.10 g/mol
LogP-1.27
Rot. Bonds2

About 2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetic acid

2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetic acid (PubChem CID 135786545) has the molecular formula C4H5N3O3 and a molecular weight of 143.10 g/mol. Its IUPAC name is 2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetic acid
PubChem CID135786545
Molecular FormulaC4H5N3O3
Molecular Weight143.10 g/mol
Exact Mass143.03
IUPAC Name2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetic acid
SMILESO=C(O)Cc1n[nH]c(=O)[nH]1
InChIInChI=1S/C4H5N3O3/c8-3(9)1-2-5-4(10)7-6-2/h1H2,(H,8,9)(H2,5,6,7,10)
InChIKeyAWGDAHKJDXJEOJ-UHFFFAOYSA-N
XLogP-1.27
TPSA98.84 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.10
LogP ≤ 5-1.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(5-oxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)propanoic acid
CID 135633755
2-(1-methyl-5-oxo-4H-1,2,4-triazol-3-yl)acetic acid
CID 136965956
2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)acetic acid
CID 165140691
Methyl 2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetate
CID 136292818
2-(5-Oxo-1,4-dihydro-1,2,4-triazol-3-yl)propanoic acid
CID 136321296
2-(5-Oxo-1,4-dihydro-1,2,4-triazol-3-yl)butanoic acid
CID 136321325

Frequently Asked Questions

What is the IUPAC name of 2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetic acid?
The IUPAC name of 2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetic acid (CID 135786545) is 2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetic acid.
What is the SMILES notation for 2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetic acid?
The canonical SMILES for 2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetic acid is O=C(O)Cc1n[nH]c(=O)[nH]1.
What is the InChIKey of 2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetic acid?
The InChIKey is AWGDAHKJDXJEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O3/c8-3(9)1-2-5-4(10)7-6-2/h1H2,(H,8,9)(H2,5,6,7,10).
What are the key properties of 2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetic acid?
2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetic acid has a molecular weight of 143.10 g/mol, XLogP of -1.27, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetic acid is sourced from PubChem (CID 135786545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).