2-benzyl-4-methyl-6-phenyl-1,2,4-triazine-3,5-dione

C17H15N3O2 — CID 171781819

IUPAC2-benzyl-4-methyl-6-phenyl-1,2,4-triazine-3,5-dione
SMILESCn1c(=O)c(-c2ccccc2)nn(Cc2ccccc2)c1=O
InChIInChI=1S/C17H15N3O2/c1-19-16(21)15(14-10-6-3-7-11-14)18-20(17(19)22)12-13-8-4-2-5-9-13/h2-11H,12H2,1H3
InChIKeyDOUSJSKGHBRKHI-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.66
Rot. Bonds3

About 2-benzyl-4-methyl-6-phenyl-1,2,4-triazine-3,5-dione

2-benzyl-4-methyl-6-phenyl-1,2,4-triazine-3,5-dione (PubChem CID 171781819) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-benzyl-4-methyl-6-phenyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2-benzyl-4-methyl-6-phenyl-1,2,4-triazine-3,5-dione
PubChem CID171781819
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name2-benzyl-4-methyl-6-phenyl-1,2,4-triazine-3,5-dione
SMILESCn1c(=O)c(-c2ccccc2)nn(Cc2ccccc2)c1=O
InChIInChI=1S/C17H15N3O2/c1-19-16(21)15(14-10-6-3-7-11-14)18-20(17(19)22)12-13-8-4-2-5-9-13/h2-11H,12H2,1H3
InChIKeyDOUSJSKGHBRKHI-UHFFFAOYSA-N
XLogP1.66
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-benzyl-4-methyl-6-phenyl-1,2,4-triazine-3,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2-benzyl-3,5-dioxo-6-phenyl-1,2,4-triazin-4-yl)methyl]benzonitrile
CID 171781835
1-benzyl-7-chloro-3-methyl-6-phenylpteridine-2,4-dione
CID 11463083
2-benzyl-4-(4-chlorophenyl)-6-phenyl-3-sulfanylidene-1,2,4-triazin-5-one
CID 134095455
6-benzyl-3-methyl-4-phenyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
CID 14873184
5-hydroxy-2-[(4-methoxyphenyl)methyl]-6-phenylpyridazin-3-one
CID 123582637
4-phenyl-2-(pyridin-3-ylmethyl)phthalazin-1-one
CID 166185401
2-[(4-chlorophenyl)methyl]-4,5-dimethyl-1,2,4-triazol-3-one
CID 134087386
acetic acid;3-benzyl-7-[(4-methoxyphenyl)methyl]-5-methyl-2-[(4-phenylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione
CID 143367067
2-benzyl-6-bromo-4-heptyl-1,2,4-triazine-3,5-dione
CID 68582474
4-[3-(aminomethyl)phenyl]-2-benzylphthalazin-1-one;hydrochloride
CID 157040231
5-benzyl-7-(4-fluorophenyl)-2-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one
CID 16906273
2-benzyl-6-methoxy-4-methylpyridazin-3-one
CID 91168973

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-methyl-6-phenyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 2-benzyl-4-methyl-6-phenyl-1,2,4-triazine-3,5-dione (CID 171781819) is 2-benzyl-4-methyl-6-phenyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2-benzyl-4-methyl-6-phenyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2-benzyl-4-methyl-6-phenyl-1,2,4-triazine-3,5-dione is Cn1c(=O)c(-c2ccccc2)nn(Cc2ccccc2)c1=O.
What is the InChIKey of 2-benzyl-4-methyl-6-phenyl-1,2,4-triazine-3,5-dione?
The InChIKey is DOUSJSKGHBRKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-19-16(21)15(14-10-6-3-7-11-14)18-20(17(19)22)12-13-8-4-2-5-9-13/h2-11H,12H2,1H3.
What are the key properties of 2-benzyl-4-methyl-6-phenyl-1,2,4-triazine-3,5-dione?
2-benzyl-4-methyl-6-phenyl-1,2,4-triazine-3,5-dione has a molecular weight of 293.33 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-methyl-6-phenyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 171781819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).