5-phenacyl-6-phenyl-4,5-dihydro-2H-1,2,4-triazin-3-one

C17H15N3O2 — CID 56692518

IUPAC5-phenacyl-6-phenyl-4,5-dihydro-2H-1,2,4-triazin-3-one
SMILESO=C1NN=C(c2ccccc2)C(CC(=O)c2ccccc2)N1
InChIInChI=1S/C17H15N3O2/c21-15(12-7-3-1-4-8-12)11-14-16(19-20-17(22)18-14)13-9-5-2-6-10-13/h1-10,14H,11H2,(H2,18,20,22)
InChIKeyYONSNUPYJVCJFW-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.35
Rot. Bonds4

About 5-phenacyl-6-phenyl-4,5-dihydro-2H-1,2,4-triazin-3-one

5-phenacyl-6-phenyl-4,5-dihydro-2H-1,2,4-triazin-3-one (PubChem CID 56692518) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 5-phenacyl-6-phenyl-4,5-dihydro-2H-1,2,4-triazin-3-one.

Molecular Properties

Compound Name5-phenacyl-6-phenyl-4,5-dihydro-2H-1,2,4-triazin-3-one
PubChem CID56692518
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name5-phenacyl-6-phenyl-4,5-dihydro-2H-1,2,4-triazin-3-one
SMILESO=C1NN=C(c2ccccc2)C(CC(=O)c2ccccc2)N1
InChIInChI=1S/C17H15N3O2/c21-15(12-7-3-1-4-8-12)11-14-16(19-20-17(22)18-14)13-9-5-2-6-10-13/h1-10,14H,11H2,(H2,18,20,22)
InChIKeyYONSNUPYJVCJFW-UHFFFAOYSA-N
XLogP2.35
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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(3S)-4-fluoro-3-phenacyl-2,3-dihydroisoindol-1-one
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2-cyclopentyl-1-(4-phenylphenyl)ethanone
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CID 14176779
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Frequently Asked Questions

What is the IUPAC name of 5-phenacyl-6-phenyl-4,5-dihydro-2H-1,2,4-triazin-3-one?
The IUPAC name of 5-phenacyl-6-phenyl-4,5-dihydro-2H-1,2,4-triazin-3-one (CID 56692518) is 5-phenacyl-6-phenyl-4,5-dihydro-2H-1,2,4-triazin-3-one.
What is the SMILES notation for 5-phenacyl-6-phenyl-4,5-dihydro-2H-1,2,4-triazin-3-one?
The canonical SMILES for 5-phenacyl-6-phenyl-4,5-dihydro-2H-1,2,4-triazin-3-one is O=C1NN=C(c2ccccc2)C(CC(=O)c2ccccc2)N1.
What is the InChIKey of 5-phenacyl-6-phenyl-4,5-dihydro-2H-1,2,4-triazin-3-one?
The InChIKey is YONSNUPYJVCJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c21-15(12-7-3-1-4-8-12)11-14-16(19-20-17(22)18-14)13-9-5-2-6-10-13/h1-10,14H,11H2,(H2,18,20,22).
What are the key properties of 5-phenacyl-6-phenyl-4,5-dihydro-2H-1,2,4-triazin-3-one?
5-phenacyl-6-phenyl-4,5-dihydro-2H-1,2,4-triazin-3-one has a molecular weight of 293.33 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenacyl-6-phenyl-4,5-dihydro-2H-1,2,4-triazin-3-one is sourced from PubChem (CID 56692518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).