2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid

C7H6N4O2 — CID 84767525

IUPAC2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid
SMILESO=C(O)Cc1cnc2ncnn2c1
InChIInChI=1S/C7H6N4O2/c12-6(13)1-5-2-8-7-9-4-10-11(7)3-5/h2-4H,1H2,(H,12,13)
InChIKeyJUNWSLINAMXMJH-UHFFFAOYSA-N
MW178.15 g/mol
LogP-0.25
Rot. Bonds2

About 2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid

2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid (PubChem CID 84767525) has the molecular formula C7H6N4O2 and a molecular weight of 178.15 g/mol. Its IUPAC name is 2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid.

Molecular Properties

Compound Name2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid
PubChem CID84767525
Molecular FormulaC7H6N4O2
Molecular Weight178.15 g/mol
Exact Mass178.05
IUPAC Name2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid
SMILESO=C(O)Cc1cnc2ncnn2c1
InChIInChI=1S/C7H6N4O2/c12-6(13)1-5-2-8-7-9-4-10-11(7)3-5/h2-4H,1H2,(H,12,13)
InChIKeyJUNWSLINAMXMJH-UHFFFAOYSA-N
XLogP-0.25
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid?
The IUPAC name of 2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid (CID 84767525) is 2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid.
What is the SMILES notation for 2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid?
The canonical SMILES for 2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid is O=C(O)Cc1cnc2ncnn2c1.
What is the InChIKey of 2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid?
The InChIKey is JUNWSLINAMXMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O2/c12-6(13)1-5-2-8-7-9-4-10-11(7)3-5/h2-4H,1H2,(H,12,13).
What are the key properties of 2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid?
2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid has a molecular weight of 178.15 g/mol, XLogP of -0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid is sourced from PubChem (CID 84767525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).