5-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)pentanoic acid

C10H12N4O2 — CID 62875349

IUPAC5-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)pentanoic acid
SMILESO=C(O)CCCCc1nnc2ncccn12
InChIInChI=1S/C10H12N4O2/c15-9(16)5-2-1-4-8-12-13-10-11-6-3-7-14(8)10/h3,6-7H,1-2,4-5H2,(H,15,16)
InChIKeyIVYFSPGTJIVXQM-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.92
Rot. Bonds5

About 5-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)pentanoic acid

5-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)pentanoic acid (PubChem CID 62875349) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 5-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)pentanoic acid.

Molecular Properties

Compound Name5-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)pentanoic acid
PubChem CID62875349
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name5-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)pentanoic acid
SMILESO=C(O)CCCCc1nnc2ncccn12
InChIInChI=1S/C10H12N4O2/c15-9(16)5-2-1-4-8-12-13-10-11-6-3-7-14(8)10/h3,6-7H,1-2,4-5H2,(H,15,16)
InChIKeyIVYFSPGTJIVXQM-UHFFFAOYSA-N
XLogP0.92
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)pentanoic acid?
The IUPAC name of 5-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)pentanoic acid (CID 62875349) is 5-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)pentanoic acid.
What is the SMILES notation for 5-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)pentanoic acid?
The canonical SMILES for 5-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)pentanoic acid is O=C(O)CCCCc1nnc2ncccn12.
What is the InChIKey of 5-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)pentanoic acid?
The InChIKey is IVYFSPGTJIVXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c15-9(16)5-2-1-4-8-12-13-10-11-6-3-7-14(8)10/h3,6-7H,1-2,4-5H2,(H,15,16).
What are the key properties of 5-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)pentanoic acid?
5-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)pentanoic acid has a molecular weight of 220.23 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)pentanoic acid is sourced from PubChem (CID 62875349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).