5-phenyl-6H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C11H8N4O — CID 517704

IUPAC5-phenyl-6H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=C1CC(c2ccccc2)=Nc2ncnn21
InChIInChI=1S/C11H8N4O/c16-10-6-9(8-4-2-1-3-5-8)14-11-12-7-13-15(10)11/h1-5,7H,6H2
InChIKeyKZRZBVZFWOPBIB-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.44
Rot. Bonds1

About 5-phenyl-6H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-phenyl-6H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 517704) has the molecular formula C11H8N4O and a molecular weight of 212.21 g/mol. Its IUPAC name is 5-phenyl-6H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-phenyl-6H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID517704
Molecular FormulaC11H8N4O
Molecular Weight212.21 g/mol
Exact Mass212.07
IUPAC Name5-phenyl-6H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=C1CC(c2ccccc2)=Nc2ncnn21
InChIInChI=1S/C11H8N4O/c16-10-6-9(8-4-2-1-3-5-8)14-11-12-7-13-15(10)11/h1-5,7H,6H2
InChIKeyKZRZBVZFWOPBIB-UHFFFAOYSA-N
XLogP1.44
TPSA60.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-6H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-phenyl-6H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 517704) is 5-phenyl-6H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-phenyl-6H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-phenyl-6H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is O=C1CC(c2ccccc2)=Nc2ncnn21.
What is the InChIKey of 5-phenyl-6H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is KZRZBVZFWOPBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O/c16-10-6-9(8-4-2-1-3-5-8)14-11-12-7-13-15(10)11/h1-5,7H,6H2.
What are the key properties of 5-phenyl-6H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-phenyl-6H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 212.21 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-6H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 517704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).