7-(2-aminophenoxy)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

C11H9N5O2 — CID 66284088

IUPAC7-(2-aminophenoxy)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESNc1ccccc1Oc1cc2n[nH]c(=O)n2cn1
InChIInChI=1S/C11H9N5O2/c12-7-3-1-2-4-8(7)18-10-5-9-14-15-11(17)16(9)6-13-10/h1-6H,12H2,(H,15,17)
InChIKeyOBGQASAZVDUHJF-UHFFFAOYSA-N
MW243.23 g/mol
LogP0.79
Rot. Bonds2

About 7-(2-aminophenoxy)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

7-(2-aminophenoxy)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 66284088) has the molecular formula C11H9N5O2 and a molecular weight of 243.23 g/mol. Its IUPAC name is 7-(2-aminophenoxy)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-(2-aminophenoxy)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID66284088
Molecular FormulaC11H9N5O2
Molecular Weight243.23 g/mol
Exact Mass243.08
IUPAC Name7-(2-aminophenoxy)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESNc1ccccc1Oc1cc2n[nH]c(=O)n2cn1
InChIInChI=1S/C11H9N5O2/c12-7-3-1-2-4-8(7)18-10-5-9-14-15-11(17)16(9)6-13-10/h1-6H,12H2,(H,15,17)
InChIKeyOBGQASAZVDUHJF-UHFFFAOYSA-N
XLogP0.79
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(2-aminophenoxy)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-(2-aminophenoxy)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 66284088) is 7-(2-aminophenoxy)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-(2-aminophenoxy)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-(2-aminophenoxy)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is Nc1ccccc1Oc1cc2n[nH]c(=O)n2cn1.
What is the InChIKey of 7-(2-aminophenoxy)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is OBGQASAZVDUHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O2/c12-7-3-1-2-4-8(7)18-10-5-9-14-15-11(17)16(9)6-13-10/h1-6H,12H2,(H,15,17).
What are the key properties of 7-(2-aminophenoxy)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-(2-aminophenoxy)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 243.23 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-aminophenoxy)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 66284088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).