3-phenyl-5-[(4-phenylmethoxyphenyl)methylidene]-1,2-dihydro-1,2,4-triazin-6-one

C23H19N3O2 — CID 2817102

IUPAC3-phenyl-5-[(4-phenylmethoxyphenyl)methylidene]-1,2-dihydro-1,2,4-triazin-6-one
SMILESO=C1NNC(c2ccccc2)=NC1=Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H19N3O2/c27-23-21(24-22(25-26-23)19-9-5-2-6-10-19)15-17-11-13-20(14-12-17)28-16-18-7-3-1-4-8-18/h1-15H,16H2,(H,24,25)(H,26,27)
InChIKeyFHYINIXDXFRRTJ-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.69
Rot. Bonds5

About 3-phenyl-5-[(4-phenylmethoxyphenyl)methylidene]-1,2-dihydro-1,2,4-triazin-6-one

3-phenyl-5-[(4-phenylmethoxyphenyl)methylidene]-1,2-dihydro-1,2,4-triazin-6-one (PubChem CID 2817102) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 3-phenyl-5-[(4-phenylmethoxyphenyl)methylidene]-1,2-dihydro-1,2,4-triazin-6-one.

Molecular Properties

Compound Name3-phenyl-5-[(4-phenylmethoxyphenyl)methylidene]-1,2-dihydro-1,2,4-triazin-6-one
PubChem CID2817102
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name3-phenyl-5-[(4-phenylmethoxyphenyl)methylidene]-1,2-dihydro-1,2,4-triazin-6-one
SMILESO=C1NNC(c2ccccc2)=NC1=Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H19N3O2/c27-23-21(24-22(25-26-23)19-9-5-2-6-10-19)15-17-11-13-20(14-12-17)28-16-18-7-3-1-4-8-18/h1-15H,16H2,(H,24,25)(H,26,27)
InChIKeyFHYINIXDXFRRTJ-UHFFFAOYSA-N
XLogP3.69
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_D(1)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-[(4-methoxyphenyl)methylidene]-3-phenyl-1,2-dihydro-1,2,4-triazin-6-one
CID 2817107
(4Z)-4-[(4-phenylmethoxyphenyl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one
CID 19665278
(5E)-2-methyl-5-[(4-phenylmethoxyphenyl)methylidene]-3H-pyrrol-4-one
CID 6508826
2-(3-chlorophenyl)-4-[(4-phenylmethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 3109497
(4Z)-2-(4-iodophenyl)-4-[(4-phenylmethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 5285822
(4Z)-4-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one
CID 19665456
4-[[4-[(3-iodophenyl)methoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 4152824
5-phenyl-3-[(4-phenylmethoxyphenyl)methylidene]furan-2-one
CID 3664986
2-(2-bromophenyl)-4-[(4-phenylmethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 4018317
(4Z)-4-[(4-phenylmethoxyphenyl)methylidene]-2-propylsulfanyl-1,3-thiazol-5-one
CID 2181241
4-[(4-ethoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
CID 135485408
(4Z)-1-phenyl-4-[(4-phenylmethoxyphenyl)methylidene]pyrazolidine-3,5-dione
CID 1021404

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[(4-phenylmethoxyphenyl)methylidene]-1,2-dihydro-1,2,4-triazin-6-one?
The IUPAC name of 3-phenyl-5-[(4-phenylmethoxyphenyl)methylidene]-1,2-dihydro-1,2,4-triazin-6-one (CID 2817102) is 3-phenyl-5-[(4-phenylmethoxyphenyl)methylidene]-1,2-dihydro-1,2,4-triazin-6-one.
What is the SMILES notation for 3-phenyl-5-[(4-phenylmethoxyphenyl)methylidene]-1,2-dihydro-1,2,4-triazin-6-one?
The canonical SMILES for 3-phenyl-5-[(4-phenylmethoxyphenyl)methylidene]-1,2-dihydro-1,2,4-triazin-6-one is O=C1NNC(c2ccccc2)=NC1=Cc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 3-phenyl-5-[(4-phenylmethoxyphenyl)methylidene]-1,2-dihydro-1,2,4-triazin-6-one?
The InChIKey is FHYINIXDXFRRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c27-23-21(24-22(25-26-23)19-9-5-2-6-10-19)15-17-11-13-20(14-12-17)28-16-18-7-3-1-4-8-18/h1-15H,16H2,(H,24,25)(H,26,27).
What are the key properties of 3-phenyl-5-[(4-phenylmethoxyphenyl)methylidene]-1,2-dihydro-1,2,4-triazin-6-one?
3-phenyl-5-[(4-phenylmethoxyphenyl)methylidene]-1,2-dihydro-1,2,4-triazin-6-one has a molecular weight of 369.42 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-[(4-phenylmethoxyphenyl)methylidene]-1,2-dihydro-1,2,4-triazin-6-one is sourced from PubChem (CID 2817102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).