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

C8H11N3O3 — CID 107410282

IUPAC1-(5-oxo-1H-1,2,4-triazol-4-yl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(n2cn[nH]c2=O)CCCC1
InChIInChI=1S/C8H11N3O3/c12-6(13)8(3-1-2-4-8)11-5-9-10-7(11)14/h5H,1-4H2,(H,10,14)(H,12,13)
InChIKeyMAEDATVELGYMNL-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.07
Rot. Bonds2

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

1-(5-oxo-1H-1,2,4-triazol-4-yl)cyclopentane-1-carboxylic acid (PubChem CID 107410282) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 1-(5-oxo-1H-1,2,4-triazol-4-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(5-oxo-1H-1,2,4-triazol-4-yl)cyclopentane-1-carboxylic acid
PubChem CID107410282
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name1-(5-oxo-1H-1,2,4-triazol-4-yl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(n2cn[nH]c2=O)CCCC1
InChIInChI=1S/C8H11N3O3/c12-6(13)8(3-1-2-4-8)11-5-9-10-7(11)14/h5H,1-4H2,(H,10,14)(H,12,13)
InChIKeyMAEDATVELGYMNL-UHFFFAOYSA-N
XLogP-0.07
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 ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-oxo-1H-1,2,4-triazol-4-yl)hexanoic acid
CID 107410258
2-methyl-2-(5-oxo-1H-1,2,4-triazol-4-yl)pentanoic acid
CID 107410263
2-cyclohexyl-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetic acid
CID 107410276
1-(5-oxo-1H-1,2,4-triazol-4-yl)cyclohexane-1-carboxylic acid
CID 107410283
1-(5-oxo-1H-1,2,4-triazol-4-yl)cycloheptane-1-carboxylic acid
CID 107410284
4-methyl-1-(5-oxo-1H-1,2,4-triazol-4-yl)cyclohexane-1-carboxylic acid
CID 107410285
3-methyl-1-(5-oxo-1H-1,2,4-triazol-4-yl)cyclohexane-1-carboxylic acid
CID 107410286
4-methyl-6-(5-oxo-1H-1,2,4-triazol-4-yl)hexanoic acid
CID 107410331
2-[1-(5-oxo-1H-1,2,4-triazol-4-yl)cyclopentyl]acetic acid
CID 107410340
2-(5-oxo-1H-1,2,4-triazol-4-yl)cyclopentane-1-carboxylic acid
CID 107410343
2-ethyl-2-(5-oxo-1H-1,2,4-triazol-4-yl)butanoic acid
CID 107410374
1-(5-oxo-1H-1,2,4-triazol-4-yl)cyclobutane-1-carboxylic acid
CID 107410388

Frequently Asked Questions

What is the IUPAC name of 1-(5-oxo-1H-1,2,4-triazol-4-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(5-oxo-1H-1,2,4-triazol-4-yl)cyclopentane-1-carboxylic acid (CID 107410282) is 1-(5-oxo-1H-1,2,4-triazol-4-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(5-oxo-1H-1,2,4-triazol-4-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(5-oxo-1H-1,2,4-triazol-4-yl)cyclopentane-1-carboxylic acid is O=C(O)C1(n2cn[nH]c2=O)CCCC1.
What is the InChIKey of 1-(5-oxo-1H-1,2,4-triazol-4-yl)cyclopentane-1-carboxylic acid?
The InChIKey is MAEDATVELGYMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c12-6(13)8(3-1-2-4-8)11-5-9-10-7(11)14/h5H,1-4H2,(H,10,14)(H,12,13).
What are the key properties of 1-(5-oxo-1H-1,2,4-triazol-4-yl)cyclopentane-1-carboxylic acid?
1-(5-oxo-1H-1,2,4-triazol-4-yl)cyclopentane-1-carboxylic acid has a molecular weight of 197.19 g/mol, XLogP of -0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-oxo-1H-1,2,4-triazol-4-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 107410282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).