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

C7H6N4O4 — CID 59476771

IUPAC2-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)oxy]acetic acid
SMILESO=C(O)COc1cc(=O)n2[nH]cnc2n1
InChIInChI=1S/C7H6N4O4/c12-5-1-4(15-2-6(13)14)10-7-8-3-9-11(5)7/h1,3H,2H2,(H,13,14)(H,8,9,10)
InChIKeyDMPJEBNVPLEPTG-UHFFFAOYSA-N
MW210.15 g/mol
LogP-1.12
Rot. Bonds3

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

2-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)oxy]acetic acid (PubChem CID 59476771) has the molecular formula C7H6N4O4 and a molecular weight of 210.15 g/mol. Its IUPAC name is 2-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)oxy]acetic acid.

Molecular Properties

Compound Name2-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)oxy]acetic acid
PubChem CID59476771
Molecular FormulaC7H6N4O4
Molecular Weight210.15 g/mol
Exact Mass210.04
IUPAC Name2-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)oxy]acetic acid
SMILESO=C(O)COc1cc(=O)n2[nH]cnc2n1
InChIInChI=1S/C7H6N4O4/c12-5-1-4(15-2-6(13)14)10-7-8-3-9-11(5)7/h1,3H,2H2,(H,13,14)(H,8,9,10)
InChIKeyDMPJEBNVPLEPTG-UHFFFAOYSA-N
XLogP-1.12
TPSA109.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.15
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)oxy]acetic acid?
The IUPAC name of 2-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)oxy]acetic acid (CID 59476771) is 2-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)oxy]acetic acid.
What is the SMILES notation for 2-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)oxy]acetic acid?
The canonical SMILES for 2-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)oxy]acetic acid is O=C(O)COc1cc(=O)n2[nH]cnc2n1.
What is the InChIKey of 2-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)oxy]acetic acid?
The InChIKey is DMPJEBNVPLEPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O4/c12-5-1-4(15-2-6(13)14)10-7-8-3-9-11(5)7/h1,3H,2H2,(H,13,14)(H,8,9,10).
What are the key properties of 2-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)oxy]acetic acid?
2-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)oxy]acetic acid has a molecular weight of 210.15 g/mol, XLogP of -1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)oxy]acetic acid is sourced from PubChem (CID 59476771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).