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

C7H11N3O3 — CID 107410326

IUPAC4-(5-oxo-1H-1,2,4-triazol-4-yl)pentanoic acid
SMILESCC(CCC(=O)O)n1cn[nH]c1=O
InChIInChI=1S/C7H11N3O3/c1-5(2-3-6(11)12)10-4-8-9-7(10)13/h4-5H,2-3H2,1H3,(H,9,13)(H,11,12)
InChIKeyDNRNRWKXDBERLR-UHFFFAOYSA-N
MW185.18 g/mol
LogP-0.00
Rot. Bonds4

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

4-(5-oxo-1H-1,2,4-triazol-4-yl)pentanoic acid (PubChem CID 107410326) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is 4-(5-oxo-1H-1,2,4-triazol-4-yl)pentanoic acid.

Molecular Properties

Compound Name4-(5-oxo-1H-1,2,4-triazol-4-yl)pentanoic acid
PubChem CID107410326
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Name4-(5-oxo-1H-1,2,4-triazol-4-yl)pentanoic acid
SMILESCC(CCC(=O)O)n1cn[nH]c1=O
InChIInChI=1S/C7H11N3O3/c1-5(2-3-6(11)12)10-4-8-9-7(10)13/h4-5H,2-3H2,1H3,(H,9,13)(H,11,12)
InChIKeyDNRNRWKXDBERLR-UHFFFAOYSA-N
XLogP-0.00
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(5-oxo-1H-1,2,4-triazol-4-yl)hexanoic acid
CID 107410211
4-(5-oxo-1H-1,2,4-triazol-4-yl)butanoic acid
CID 107410224
3-(5-oxo-1H-1,2,4-triazol-4-yl)butanoic acid
CID 107410255
2-(5-oxo-1H-1,2,4-triazol-4-yl)pentanoic acid
CID 107410261
2-(5-oxo-1H-1,2,4-triazol-4-yl)pentanedioic acid
CID 107410269
4-methyl-4-(5-oxo-1H-1,2,4-triazol-4-yl)pentanoic acid
CID 107410292
5-(5-oxo-1H-1,2,4-triazol-4-yl)pentanoic acid
CID 107410325
2-methyl-4-(5-oxo-1H-1,2,4-triazol-4-yl)butanoic acid
CID 107410380
3-methyl-4-(5-oxo-1H-1,2,4-triazol-4-yl)butanoic acid
CID 107410383
3-[(5-oxo-1H-1,2,4-triazol-4-yl)methyl]pentanoic acid
CID 107410384
3-(5-oxo-1H-1,2,4-triazol-4-yl)pentanoic acid
CID 107410419
3-(5-oxo-1H-1,2,4-triazol-4-yl)hexanoic acid
CID 107410420

Frequently Asked Questions

What is the IUPAC name of 4-(5-oxo-1H-1,2,4-triazol-4-yl)pentanoic acid?
The IUPAC name of 4-(5-oxo-1H-1,2,4-triazol-4-yl)pentanoic acid (CID 107410326) is 4-(5-oxo-1H-1,2,4-triazol-4-yl)pentanoic acid.
What is the SMILES notation for 4-(5-oxo-1H-1,2,4-triazol-4-yl)pentanoic acid?
The canonical SMILES for 4-(5-oxo-1H-1,2,4-triazol-4-yl)pentanoic acid is CC(CCC(=O)O)n1cn[nH]c1=O.
What is the InChIKey of 4-(5-oxo-1H-1,2,4-triazol-4-yl)pentanoic acid?
The InChIKey is DNRNRWKXDBERLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3/c1-5(2-3-6(11)12)10-4-8-9-7(10)13/h4-5H,2-3H2,1H3,(H,9,13)(H,11,12).
What are the key properties of 4-(5-oxo-1H-1,2,4-triazol-4-yl)pentanoic acid?
4-(5-oxo-1H-1,2,4-triazol-4-yl)pentanoic acid has a molecular weight of 185.18 g/mol, XLogP of -0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-oxo-1H-1,2,4-triazol-4-yl)pentanoic acid is sourced from PubChem (CID 107410326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).