2-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenol

C17H12N4O — CID 135727318

IUPAC2-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenol
SMILESOc1ccccc1-c1cc(-c2ccccc2)nc2ncnn12
InChIInChI=1S/C17H12N4O/c22-16-9-5-4-8-13(16)15-10-14(12-6-2-1-3-7-12)20-17-18-11-19-21(15)17/h1-11,22H
InChIKeyJZMJRDJCAKZBBM-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.16
Rot. Bonds2

About 2-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenol

2-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenol (PubChem CID 135727318) has the molecular formula C17H12N4O and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenol.

Molecular Properties

Compound Name2-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenol
PubChem CID135727318
Molecular FormulaC17H12N4O
Molecular Weight288.31 g/mol
Exact Mass288.10
IUPAC Name2-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenol
SMILESOc1ccccc1-c1cc(-c2ccccc2)nc2ncnn12
InChIInChI=1S/C17H12N4O/c22-16-9-5-4-8-13(16)15-10-14(12-6-2-1-3-7-12)20-17-18-11-19-21(15)17/h1-11,22H
InChIKeyJZMJRDJCAKZBBM-UHFFFAOYSA-N
XLogP3.16
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenol?
The IUPAC name of 2-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenol (CID 135727318) is 2-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenol.
What is the SMILES notation for 2-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenol?
The canonical SMILES for 2-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenol is Oc1ccccc1-c1cc(-c2ccccc2)nc2ncnn12.
What is the InChIKey of 2-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenol?
The InChIKey is JZMJRDJCAKZBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O/c22-16-9-5-4-8-13(16)15-10-14(12-6-2-1-3-7-12)20-17-18-11-19-21(15)17/h1-11,22H.
What are the key properties of 2-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenol?
2-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenol has a molecular weight of 288.31 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenol is sourced from PubChem (CID 135727318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).