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

C13H12N4O2 — CID 136775611

IUPAC2-ethoxy-7-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCCOc1nc2[nH]c(=O)cc(-c3ccccc3)n2n1
InChIInChI=1S/C13H12N4O2/c1-2-19-13-15-12-14-11(18)8-10(17(12)16-13)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,14,15,16,18)
InChIKeyMSHSFYFOSQOYIA-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.48
Rot. Bonds3

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

2-ethoxy-7-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (PubChem CID 136775611) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-ethoxy-7-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-ethoxy-7-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
PubChem CID136775611
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC Name2-ethoxy-7-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCCOc1nc2[nH]c(=O)cc(-c3ccccc3)n2n1
InChIInChI=1S/C13H12N4O2/c1-2-19-13-15-12-14-11(18)8-10(17(12)16-13)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,14,15,16,18)
InChIKeyMSHSFYFOSQOYIA-UHFFFAOYSA-N
XLogP1.48
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-7-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 2-ethoxy-7-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (CID 136775611) is 2-ethoxy-7-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 2-ethoxy-7-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 2-ethoxy-7-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is CCOc1nc2[nH]c(=O)cc(-c3ccccc3)n2n1.
What is the InChIKey of 2-ethoxy-7-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The InChIKey is MSHSFYFOSQOYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c1-2-19-13-15-12-14-11(18)8-10(17(12)16-13)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,14,15,16,18).
What are the key properties of 2-ethoxy-7-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
2-ethoxy-7-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one has a molecular weight of 256.26 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-7-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 136775611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).