5,6-bis(4-methoxyphenyl)-2-phenyl-1,2,4-triazin-3-one

C23H19N3O3 — CID 141051416

IUPAC5,6-bis(4-methoxyphenyl)-2-phenyl-1,2,4-triazin-3-one
SMILESCOc1ccc(-c2nc(=O)n(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H19N3O3/c1-28-19-12-8-16(9-13-19)21-22(17-10-14-20(29-2)15-11-17)25-26(23(27)24-21)18-6-4-3-5-7-18/h3-15H,1-2H3
InChIKeyAFBTYDZKRPPMMD-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.98
Rot. Bonds5

About 5,6-bis(4-methoxyphenyl)-2-phenyl-1,2,4-triazin-3-one

5,6-bis(4-methoxyphenyl)-2-phenyl-1,2,4-triazin-3-one (PubChem CID 141051416) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 5,6-bis(4-methoxyphenyl)-2-phenyl-1,2,4-triazin-3-one.

Molecular Properties

Compound Name5,6-bis(4-methoxyphenyl)-2-phenyl-1,2,4-triazin-3-one
PubChem CID141051416
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name5,6-bis(4-methoxyphenyl)-2-phenyl-1,2,4-triazin-3-one
SMILESCOc1ccc(-c2nc(=O)n(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H19N3O3/c1-28-19-12-8-16(9-13-19)21-22(17-10-14-20(29-2)15-11-17)25-26(23(27)24-21)18-6-4-3-5-7-18/h3-15H,1-2H3
InChIKeyAFBTYDZKRPPMMD-UHFFFAOYSA-N
XLogP3.98
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-methoxyphenyl)-1-phenyl-4,5-dihydro-1H-pyrazole
CID 619798
5-(4-Methoxyphenyl)-1,3-diphenyl-4,5-dihydro-1H-pyrazole
CID 349865
3-(4-methoxyphenyl)-1,5-diphenyl-4,5-dihydro-1H-pyrazole
CID 349866
2-Propenal, 3,3-bis(4-methoxyphenyl)-, 2,2-diphenylhydrazone
CID 9589457
4-[3-(2-Methoxy-phenyl)-1-p-tolyl-allylidene]-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one
CID 5725578
5-(4-Methoxyphenyl)-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
CID 10308159
1H-Pyrazole, 4,5-dihydro-3,5-bis(4-methoxyphenyl)-1-phenyl-
CID 3112967
3-(4-methoxyphenyl)-5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole
CID 5716922
2-[4-(4-methoxyphenyl)phenyl]-5-methyl-4H-pyrazol-3-one
CID 127037768
4-[(4-methoxyphenyl)methyl]-2,5-diphenyl-4H-pyrazol-3-one
CID 164612679
4-benzyl-5-(4-methoxyphenyl)-2-phenyl-4H-pyrazol-3-one
CID 164611855
N-[(Z)-3,3-bis(4-methoxyphenyl)prop-2-enylideneamino]-N-phenylaniline
CID 5748798

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(4-methoxyphenyl)-2-phenyl-1,2,4-triazin-3-one?
The IUPAC name of 5,6-bis(4-methoxyphenyl)-2-phenyl-1,2,4-triazin-3-one (CID 141051416) is 5,6-bis(4-methoxyphenyl)-2-phenyl-1,2,4-triazin-3-one.
What is the SMILES notation for 5,6-bis(4-methoxyphenyl)-2-phenyl-1,2,4-triazin-3-one?
The canonical SMILES for 5,6-bis(4-methoxyphenyl)-2-phenyl-1,2,4-triazin-3-one is COc1ccc(-c2nc(=O)n(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 5,6-bis(4-methoxyphenyl)-2-phenyl-1,2,4-triazin-3-one?
The InChIKey is AFBTYDZKRPPMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-28-19-12-8-16(9-13-19)21-22(17-10-14-20(29-2)15-11-17)25-26(23(27)24-21)18-6-4-3-5-7-18/h3-15H,1-2H3.
What are the key properties of 5,6-bis(4-methoxyphenyl)-2-phenyl-1,2,4-triazin-3-one?
5,6-bis(4-methoxyphenyl)-2-phenyl-1,2,4-triazin-3-one has a molecular weight of 385.42 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(4-methoxyphenyl)-2-phenyl-1,2,4-triazin-3-one is sourced from PubChem (CID 141051416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).