2-(5-oxo-1H-1,2,4-triazol-4-yl)cyclopentane-1-carboxylic acid

C8H11N3O3 — CID 107410343

IUPAC2-(5-oxo-1H-1,2,4-triazol-4-yl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1n1cn[nH]c1=O
InChIInChI=1S/C8H11N3O3/c12-7(13)5-2-1-3-6(5)11-4-9-10-8(11)14/h4-6H,1-3H2,(H,10,14)(H,12,13)
InChIKeyNUMYWNNWYSWGMM-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.00
Rot. Bonds2

About 2-(5-oxo-1H-1,2,4-triazol-4-yl)cyclopentane-1-carboxylic acid

2-(5-oxo-1H-1,2,4-triazol-4-yl)cyclopentane-1-carboxylic acid (PubChem CID 107410343) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-(5-oxo-1H-1,2,4-triazol-4-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(5-oxo-1H-1,2,4-triazol-4-yl)cyclopentane-1-carboxylic acid
PubChem CID107410343
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name2-(5-oxo-1H-1,2,4-triazol-4-yl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1n1cn[nH]c1=O
InChIInChI=1S/C8H11N3O3/c12-7(13)5-2-1-3-6(5)11-4-9-10-8(11)14/h4-6H,1-3H2,(H,10,14)(H,12,13)
InChIKeyNUMYWNNWYSWGMM-UHFFFAOYSA-N
XLogP-0.00
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-oxo-1H-1,2,4-triazol-4-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(5-oxo-1H-1,2,4-triazol-4-yl)cyclopentane-1-carboxylic acid (CID 107410343) is 2-(5-oxo-1H-1,2,4-triazol-4-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(5-oxo-1H-1,2,4-triazol-4-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(5-oxo-1H-1,2,4-triazol-4-yl)cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1n1cn[nH]c1=O.
What is the InChIKey of 2-(5-oxo-1H-1,2,4-triazol-4-yl)cyclopentane-1-carboxylic acid?
The InChIKey is NUMYWNNWYSWGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c12-7(13)5-2-1-3-6(5)11-4-9-10-8(11)14/h4-6H,1-3H2,(H,10,14)(H,12,13).
What are the key properties of 2-(5-oxo-1H-1,2,4-triazol-4-yl)cyclopentane-1-carboxylic acid?
2-(5-oxo-1H-1,2,4-triazol-4-yl)cyclopentane-1-carboxylic acid has a molecular weight of 197.19 g/mol, XLogP of -0.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxo-1H-1,2,4-triazol-4-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 107410343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).