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

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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).