2-[1-(5-oxo-1H-1,2,4-triazol-4-yl)cyclopentyl]acetic acid

C9H13N3O3 — CID 107410340

IUPAC2-[1-(5-oxo-1H-1,2,4-triazol-4-yl)cyclopentyl]acetic acid
SMILESO=C(O)CC1(n2cn[nH]c2=O)CCCC1
InChIInChI=1S/C9H13N3O3/c13-7(14)5-9(3-1-2-4-9)12-6-10-11-8(12)15/h6H,1-5H2,(H,11,15)(H,13,14)
InChIKeyOJESGEBOINYHBW-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.32
Rot. Bonds3

About 2-[1-(5-oxo-1H-1,2,4-triazol-4-yl)cyclopentyl]acetic acid

2-[1-(5-oxo-1H-1,2,4-triazol-4-yl)cyclopentyl]acetic acid (PubChem CID 107410340) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-[1-(5-oxo-1H-1,2,4-triazol-4-yl)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-(5-oxo-1H-1,2,4-triazol-4-yl)cyclopentyl]acetic acid
PubChem CID107410340
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name2-[1-(5-oxo-1H-1,2,4-triazol-4-yl)cyclopentyl]acetic acid
SMILESO=C(O)CC1(n2cn[nH]c2=O)CCCC1
InChIInChI=1S/C9H13N3O3/c13-7(14)5-9(3-1-2-4-9)12-6-10-11-8(12)15/h6H,1-5H2,(H,11,15)(H,13,14)
InChIKeyOJESGEBOINYHBW-UHFFFAOYSA-N
XLogP0.32
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-oxo-1H-1,2,4-triazol-4-yl)cyclopentyl]acetic acid?
The IUPAC name of 2-[1-(5-oxo-1H-1,2,4-triazol-4-yl)cyclopentyl]acetic acid (CID 107410340) is 2-[1-(5-oxo-1H-1,2,4-triazol-4-yl)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-(5-oxo-1H-1,2,4-triazol-4-yl)cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-(5-oxo-1H-1,2,4-triazol-4-yl)cyclopentyl]acetic acid is O=C(O)CC1(n2cn[nH]c2=O)CCCC1.
What is the InChIKey of 2-[1-(5-oxo-1H-1,2,4-triazol-4-yl)cyclopentyl]acetic acid?
The InChIKey is OJESGEBOINYHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c13-7(14)5-9(3-1-2-4-9)12-6-10-11-8(12)15/h6H,1-5H2,(H,11,15)(H,13,14).
What are the key properties of 2-[1-(5-oxo-1H-1,2,4-triazol-4-yl)cyclopentyl]acetic acid?
2-[1-(5-oxo-1H-1,2,4-triazol-4-yl)cyclopentyl]acetic acid has a molecular weight of 211.22 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-oxo-1H-1,2,4-triazol-4-yl)cyclopentyl]acetic acid is sourced from PubChem (CID 107410340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).