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

C8H8N4O2 — CID 25248712

IUPAC3-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid
SMILESO=C(O)CCc1nc2ncccn2n1
InChIInChI=1S/C8H8N4O2/c13-7(14)3-2-6-10-8-9-4-1-5-12(8)11-6/h1,4-5H,2-3H2,(H,13,14)
InChIKeyTXQZVOROAGZEIO-UHFFFAOYSA-N
MW192.18 g/mol
LogP0.14
Rot. Bonds3

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

3-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid (PubChem CID 25248712) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 3-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid.

Molecular Properties

Compound Name3-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid
PubChem CID25248712
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name3-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid
SMILESO=C(O)CCc1nc2ncccn2n1
InChIInChI=1S/C8H8N4O2/c13-7(14)3-2-6-10-8-9-4-1-5-12(8)11-6/h1,4-5H,2-3H2,(H,13,14)
InChIKeyTXQZVOROAGZEIO-UHFFFAOYSA-N
XLogP0.14
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid?
The IUPAC name of 3-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid (CID 25248712) is 3-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid.
What is the SMILES notation for 3-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid?
The canonical SMILES for 3-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid is O=C(O)CCc1nc2ncccn2n1.
What is the InChIKey of 3-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid?
The InChIKey is TXQZVOROAGZEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c13-7(14)3-2-6-10-8-9-4-1-5-12(8)11-6/h1,4-5H,2-3H2,(H,13,14).
What are the key properties of 3-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid?
3-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid has a molecular weight of 192.18 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid is sourced from PubChem (CID 25248712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).