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

C17H15N3O2 — CID 2817107

IUPAC5-[(4-methoxyphenyl)methylidene]-3-phenyl-1,2-dihydro-1,2,4-triazin-6-one
SMILESCOc1ccc(C=C2N=C(c3ccccc3)NNC2=O)cc1
InChIInChI=1S/C17H15N3O2/c1-22-14-9-7-12(8-10-14)11-15-17(21)20-19-16(18-15)13-5-3-2-4-6-13/h2-11H,1H3,(H,18,19)(H,20,21)
InChIKeyDJXRUZNCINQKPH-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.12
Rot. Bonds3

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

5-[(4-methoxyphenyl)methylidene]-3-phenyl-1,2-dihydro-1,2,4-triazin-6-one (PubChem CID 2817107) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)methylidene]-3-phenyl-1,2-dihydro-1,2,4-triazin-6-one.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)methylidene]-3-phenyl-1,2-dihydro-1,2,4-triazin-6-one
PubChem CID2817107
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name5-[(4-methoxyphenyl)methylidene]-3-phenyl-1,2-dihydro-1,2,4-triazin-6-one
SMILESCOc1ccc(C=C2N=C(c3ccccc3)NNC2=O)cc1
InChIInChI=1S/C17H15N3O2/c1-22-14-9-7-12(8-10-14)11-15-17(21)20-19-16(18-15)13-5-3-2-4-6-13/h2-11H,1H3,(H,18,19)(H,20,21)
InChIKeyDJXRUZNCINQKPH-UHFFFAOYSA-N
XLogP2.12
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.12
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

3-phenyl-5-[(4-phenylmethoxyphenyl)methylidene]-1,2-dihydro-1,2,4-triazin-6-one
CID 2817102
(4E)-2-(4-methoxyphenyl)-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one
CID 136893529
(4Z)-4-[(4-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
CID 135443011
(4E)-2-(2-chlorophenyl)-4-[(4-methoxyphenyl)methylidene]-1H-imidazol-5-one
CID 135517587
(5E)-5-benzylidene-3-methyl-1,2-dihydro-1,2,4-triazin-6-one
CID 17463875
4-[(4-methoxyphenyl)methylidene]-2-methyl-1H-imidazol-5-one
CID 137221885
(4E)-4-[(4-methoxyphenyl)methylidene]-2-methyl-1H-imidazol-5-one
CID 136893825
methyl 4-[(E)-(5-oxo-2-phenyl-1H-imidazol-4-ylidene)methyl]benzoate
CID 136698334
(4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2-phenyl-1H-imidazol-5-one
CID 136895149
(4Z)-2-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136893739
(5E)-3-[(E)-benzylideneamino]-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one
CID 177408964
(4E)-4-benzylidene-2-(2-methoxyphenyl)-1H-imidazol-5-one
CID 136893365

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)methylidene]-3-phenyl-1,2-dihydro-1,2,4-triazin-6-one?
The IUPAC name of 5-[(4-methoxyphenyl)methylidene]-3-phenyl-1,2-dihydro-1,2,4-triazin-6-one (CID 2817107) is 5-[(4-methoxyphenyl)methylidene]-3-phenyl-1,2-dihydro-1,2,4-triazin-6-one.
What is the SMILES notation for 5-[(4-methoxyphenyl)methylidene]-3-phenyl-1,2-dihydro-1,2,4-triazin-6-one?
The canonical SMILES for 5-[(4-methoxyphenyl)methylidene]-3-phenyl-1,2-dihydro-1,2,4-triazin-6-one is COc1ccc(C=C2N=C(c3ccccc3)NNC2=O)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)methylidene]-3-phenyl-1,2-dihydro-1,2,4-triazin-6-one?
The InChIKey is DJXRUZNCINQKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-22-14-9-7-12(8-10-14)11-15-17(21)20-19-16(18-15)13-5-3-2-4-6-13/h2-11H,1H3,(H,18,19)(H,20,21).
What are the key properties of 5-[(4-methoxyphenyl)methylidene]-3-phenyl-1,2-dihydro-1,2,4-triazin-6-one?
5-[(4-methoxyphenyl)methylidene]-3-phenyl-1,2-dihydro-1,2,4-triazin-6-one has a molecular weight of 293.33 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)methylidene]-3-phenyl-1,2-dihydro-1,2,4-triazin-6-one is sourced from PubChem (CID 2817107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).