2-(6-aminotriazolo[1,5-a]pyrimidin-3-yl)phenol

C11H9N5O — CID 105484411

IUPAC2-(6-aminotriazolo[1,5-a]pyrimidin-3-yl)phenol
SMILESNc1cnc2c(-c3ccccc3O)nnn2c1
InChIInChI=1S/C11H9N5O/c12-7-5-13-11-10(14-15-16(11)6-7)8-3-1-2-4-9(8)17/h1-6,17H,12H2
InChIKeyRXCOFOSNRHEXNW-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.08
Rot. Bonds1

About 2-(6-aminotriazolo[1,5-a]pyrimidin-3-yl)phenol

2-(6-aminotriazolo[1,5-a]pyrimidin-3-yl)phenol (PubChem CID 105484411) has the molecular formula C11H9N5O and a molecular weight of 227.23 g/mol. Its IUPAC name is 2-(6-aminotriazolo[1,5-a]pyrimidin-3-yl)phenol.

Molecular Properties

Compound Name2-(6-aminotriazolo[1,5-a]pyrimidin-3-yl)phenol
PubChem CID105484411
Molecular FormulaC11H9N5O
Molecular Weight227.23 g/mol
Exact Mass227.08
IUPAC Name2-(6-aminotriazolo[1,5-a]pyrimidin-3-yl)phenol
SMILESNc1cnc2c(-c3ccccc3O)nnn2c1
InChIInChI=1S/C11H9N5O/c12-7-5-13-11-10(14-15-16(11)6-7)8-3-1-2-4-9(8)17/h1-6,17H,12H2
InChIKeyRXCOFOSNRHEXNW-UHFFFAOYSA-N
XLogP1.08
TPSA89.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-aminotriazolo[1,5-a]pyrimidin-3-yl)phenol?
The IUPAC name of 2-(6-aminotriazolo[1,5-a]pyrimidin-3-yl)phenol (CID 105484411) is 2-(6-aminotriazolo[1,5-a]pyrimidin-3-yl)phenol.
What is the SMILES notation for 2-(6-aminotriazolo[1,5-a]pyrimidin-3-yl)phenol?
The canonical SMILES for 2-(6-aminotriazolo[1,5-a]pyrimidin-3-yl)phenol is Nc1cnc2c(-c3ccccc3O)nnn2c1.
What is the InChIKey of 2-(6-aminotriazolo[1,5-a]pyrimidin-3-yl)phenol?
The InChIKey is RXCOFOSNRHEXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O/c12-7-5-13-11-10(14-15-16(11)6-7)8-3-1-2-4-9(8)17/h1-6,17H,12H2.
What are the key properties of 2-(6-aminotriazolo[1,5-a]pyrimidin-3-yl)phenol?
2-(6-aminotriazolo[1,5-a]pyrimidin-3-yl)phenol has a molecular weight of 227.23 g/mol, XLogP of 1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-aminotriazolo[1,5-a]pyrimidin-3-yl)phenol is sourced from PubChem (CID 105484411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).