4-[(4-benzoylphenyl)methyl]-6-methoxy-2-phenyl-1,2,4-triazine-3,5-dione

C24H19N3O4 — CID 68705820

IUPAC4-[(4-benzoylphenyl)methyl]-6-methoxy-2-phenyl-1,2,4-triazine-3,5-dione
SMILESCOc1nn(-c2ccccc2)c(=O)n(Cc2ccc(C(=O)c3ccccc3)cc2)c1=O
InChIInChI=1S/C24H19N3O4/c1-31-22-23(29)26(24(30)27(25-22)20-10-6-3-7-11-20)16-17-12-14-19(15-13-17)21(28)18-8-4-2-5-9-18/h2-15H,16H2,1H3
InChIKeyIZOQKQLPMYFVFS-UHFFFAOYSA-N
MW413.43 g/mol
LogP2.68
Rot. Bonds6

About 4-[(4-benzoylphenyl)methyl]-6-methoxy-2-phenyl-1,2,4-triazine-3,5-dione

4-[(4-benzoylphenyl)methyl]-6-methoxy-2-phenyl-1,2,4-triazine-3,5-dione (PubChem CID 68705820) has the molecular formula C24H19N3O4 and a molecular weight of 413.43 g/mol. Its IUPAC name is 4-[(4-benzoylphenyl)methyl]-6-methoxy-2-phenyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name4-[(4-benzoylphenyl)methyl]-6-methoxy-2-phenyl-1,2,4-triazine-3,5-dione
PubChem CID68705820
Molecular FormulaC24H19N3O4
Molecular Weight413.43 g/mol
Exact Mass413.14
IUPAC Name4-[(4-benzoylphenyl)methyl]-6-methoxy-2-phenyl-1,2,4-triazine-3,5-dione
SMILESCOc1nn(-c2ccccc2)c(=O)n(Cc2ccc(C(=O)c3ccccc3)cc2)c1=O
InChIInChI=1S/C24H19N3O4/c1-31-22-23(29)26(24(30)27(25-22)20-10-6-3-7-11-20)16-17-12-14-19(15-13-17)21(28)18-8-4-2-5-9-18/h2-15H,16H2,1H3
InChIKeyIZOQKQLPMYFVFS-UHFFFAOYSA-N
XLogP2.68
TPSA83.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(4-chlorophenyl)methyl]-6-methoxy-2-[3-(methoxymethyl)phenyl]-1,2,4-triazine-3,5-dione
CID 68700414
N-[3-[6-methoxy-3,5-dioxo-4-[(4-propan-2-ylphenyl)methyl]-1,2,4-triazin-2-yl]phenyl]acetamide
CID 59139847
4-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-1,2,4-triazine-3,5-dione
CID 25106995
N-[3-[4-[(4-cyano-3-methoxyphenyl)methyl]-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide
CID 68700860
N-[3-[6-methoxy-4-[(2-methylindazol-5-yl)methyl]-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide
CID 25106293
N-[3-[4-[(4-fluoro-3-methoxyphenyl)methyl]-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide
CID 25107438
N-[3-[4-[(3,5-difluoro-4-methoxyphenyl)methyl]-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide
CID 68701726
4-[(4-fluorophenyl)methyl]-N-(3-methoxypropyl)-3,5-dioxo-2-phenyl-1,2,4-triazine-6-carboxamide
CID 46004315
N-[3-[4-[[4-(dimethylamino)-3-fluorophenyl]methyl]-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide
CID 25106131
4-benzyl-3,5-dioxo-N,2-diphenyl-1,2,4-triazine-6-carboxamide
CID 46149662
2-[5-[4-[(4-chloro-3-methoxyphenyl)methyl]-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl]-2-fluorophenyl]acetamide
CID 150771281
N,4-dibenzyl-2-(3-methoxyphenyl)-N-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 46005416

Frequently Asked Questions

What is the IUPAC name of 4-[(4-benzoylphenyl)methyl]-6-methoxy-2-phenyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 4-[(4-benzoylphenyl)methyl]-6-methoxy-2-phenyl-1,2,4-triazine-3,5-dione (CID 68705820) is 4-[(4-benzoylphenyl)methyl]-6-methoxy-2-phenyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 4-[(4-benzoylphenyl)methyl]-6-methoxy-2-phenyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 4-[(4-benzoylphenyl)methyl]-6-methoxy-2-phenyl-1,2,4-triazine-3,5-dione is COc1nn(-c2ccccc2)c(=O)n(Cc2ccc(C(=O)c3ccccc3)cc2)c1=O.
What is the InChIKey of 4-[(4-benzoylphenyl)methyl]-6-methoxy-2-phenyl-1,2,4-triazine-3,5-dione?
The InChIKey is IZOQKQLPMYFVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O4/c1-31-22-23(29)26(24(30)27(25-22)20-10-6-3-7-11-20)16-17-12-14-19(15-13-17)21(28)18-8-4-2-5-9-18/h2-15H,16H2,1H3.
What are the key properties of 4-[(4-benzoylphenyl)methyl]-6-methoxy-2-phenyl-1,2,4-triazine-3,5-dione?
4-[(4-benzoylphenyl)methyl]-6-methoxy-2-phenyl-1,2,4-triazine-3,5-dione has a molecular weight of 413.43 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-benzoylphenyl)methyl]-6-methoxy-2-phenyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 68705820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).