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

C11H10N4O — CID 2933025

IUPAC7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESO=C1CC(c2ccccc2)n2ncnc2N1
InChIInChI=1S/C11H10N4O/c16-10-6-9(8-4-2-1-3-5-8)15-11(14-10)12-7-13-15/h1-5,7,9H,6H2,(H,12,13,14,16)
InChIKeyFZUNCZJIZJBBHX-UHFFFAOYSA-N
MW214.23 g/mol
LogP1.21
Rot. Bonds1

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

7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (PubChem CID 2933025) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is 7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
PubChem CID2933025
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC Name7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESO=C1CC(c2ccccc2)n2ncnc2N1
InChIInChI=1S/C11H10N4O/c16-10-6-9(8-4-2-1-3-5-8)15-11(14-10)12-7-13-15/h1-5,7,9H,6H2,(H,12,13,14,16)
InChIKeyFZUNCZJIZJBBHX-UHFFFAOYSA-N
XLogP1.21
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-Methyl-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone
CID 5070088
2-amino-5-phenyl-5,6-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 135460506
1-[5-Methyl-7-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 2792439
N-(5-oxo-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide
CID 660670
N-(5-oxo-7-phenyl-3,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-phenylpropanamide
CID 664858
N-[7-(4-chlorophenyl)-5-oxo-3,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-phenylpropanamide
CID 664940
N-(5-oxo-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
CID 5198984
2-methyl-N-(5-oxo-7-phenyl-3,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
CID 3632338
1-[7-(4-Fluorophenyl)-1,7-dihydro-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 2791019
1-[7-(2-Fluorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 4085893
4-methyl-N-(5-oxo-7-phenyl-3,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
CID 4325938
7-(4-chlorophenyl)-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5(3H)-one
CID 2933326

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (CID 2933025) is 7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is O=C1CC(c2ccccc2)n2ncnc2N1.
What is the InChIKey of 7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The InChIKey is FZUNCZJIZJBBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O/c16-10-6-9(8-4-2-1-3-5-8)15-11(14-10)12-7-13-15/h1-5,7,9H,6H2,(H,12,13,14,16).
What are the key properties of 7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one has a molecular weight of 214.23 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 2933025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).