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

C13H12N4O — CID 137004085

IUPAC2-ethyl-7-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCCc1nc2[nH]c(=O)cc(-c3ccccc3)n2n1
InChIInChI=1S/C13H12N4O/c1-2-11-14-13-15-12(18)8-10(17(13)16-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,14,15,16,18)
InChIKeyWFXCZQYWBIAICC-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.65
Rot. Bonds2

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

2-ethyl-7-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (PubChem CID 137004085) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 2-ethyl-7-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-ethyl-7-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
PubChem CID137004085
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name2-ethyl-7-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCCc1nc2[nH]c(=O)cc(-c3ccccc3)n2n1
InChIInChI=1S/C13H12N4O/c1-2-11-14-13-15-12(18)8-10(17(13)16-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,14,15,16,18)
InChIKeyWFXCZQYWBIAICC-UHFFFAOYSA-N
XLogP1.65
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-7-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 136775611
2-ethyl-7-(methoxymethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 137004097
N-(2-butyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
CID 135400104
2-ethyl-3-phenyl-1H-pyrazol-5-one
CID 105443154
7-amino-2-hexyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 137167951
2-methyl-3-phenyl-1H-pyrazol-5-one
CID 10844967
4-ethyl-2-(3-oxo-5-phenyl-1H-pyrazol-2-yl)-1H-pyrimidin-6-one
CID 135439812
N-(5-oxo-2-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide
CID 135520836
3-(naphthalen-1-ylmethylsulfanyl)-5-phenyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one
CID 135986180
N-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyridine-4-carboxamide
CID 135472235
N-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-phenoxypropanamide
CID 135532049
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-[5-oxo-2-(2-phenylethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide
CID 136701520

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 2-ethyl-7-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (CID 137004085) is 2-ethyl-7-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 2-ethyl-7-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 2-ethyl-7-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is CCc1nc2[nH]c(=O)cc(-c3ccccc3)n2n1.
What is the InChIKey of 2-ethyl-7-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The InChIKey is WFXCZQYWBIAICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-2-11-14-13-15-12(18)8-10(17(13)16-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,14,15,16,18).
What are the key properties of 2-ethyl-7-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
2-ethyl-7-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one has a molecular weight of 240.27 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137004085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).