2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid

C8H8N4O3 — CID 706640

IUPAC2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid
SMILESCc1cc(=O)n2[nH]c(CC(=O)O)nc2n1
InChIInChI=1S/C8H8N4O3/c1-4-2-6(13)12-8(9-4)10-5(11-12)3-7(14)15/h2H,3H2,1H3,(H,14,15)(H,9,10,11)
InChIKeyCGAFFDYYFREHLJ-UHFFFAOYSA-N
MW208.18 g/mol
LogP-0.65
Rot. Bonds2

About 2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid

2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid (PubChem CID 706640) has the molecular formula C8H8N4O3 and a molecular weight of 208.18 g/mol. Its IUPAC name is 2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid
PubChem CID706640
Molecular FormulaC8H8N4O3
Molecular Weight208.18 g/mol
Exact Mass208.06
IUPAC Name2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid
SMILESCc1cc(=O)n2[nH]c(CC(=O)O)nc2n1
InChIInChI=1S/C8H8N4O3/c1-4-2-6(13)12-8(9-4)10-5(11-12)3-7(14)15/h2H,3H2,1H3,(H,14,15)(H,9,10,11)
InChIKeyCGAFFDYYFREHLJ-UHFFFAOYSA-N
XLogP-0.65
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid?
The IUPAC name of 2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid (CID 706640) is 2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid.
What is the SMILES notation for 2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid?
The canonical SMILES for 2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid is Cc1cc(=O)n2[nH]c(CC(=O)O)nc2n1.
What is the InChIKey of 2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid?
The InChIKey is CGAFFDYYFREHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O3/c1-4-2-6(13)12-8(9-4)10-5(11-12)3-7(14)15/h2H,3H2,1H3,(H,14,15)(H,9,10,11).
What are the key properties of 2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid?
2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid has a molecular weight of 208.18 g/mol, XLogP of -0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid is sourced from PubChem (CID 706640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).