2,4-dibenzyl-6-methyl-1,2,4-triazine-3,5-dione

C18H17N3O2 — CID 3991796

IUPAC2,4-dibenzyl-6-methyl-1,2,4-triazine-3,5-dione
SMILESCc1nn(Cc2ccccc2)c(=O)n(Cc2ccccc2)c1=O
InChIInChI=1S/C18H17N3O2/c1-14-17(22)20(12-15-8-4-2-5-9-15)18(23)21(19-14)13-16-10-6-3-7-11-16/h2-11H,12-13H2,1H3
InChIKeyQYUMRERGOHWKDQ-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.81
Rot. Bonds4

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

2,4-dibenzyl-6-methyl-1,2,4-triazine-3,5-dione (PubChem CID 3991796) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2,4-dibenzyl-6-methyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2,4-dibenzyl-6-methyl-1,2,4-triazine-3,5-dione
PubChem CID3991796
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name2,4-dibenzyl-6-methyl-1,2,4-triazine-3,5-dione
SMILESCc1nn(Cc2ccccc2)c(=O)n(Cc2ccccc2)c1=O
InChIInChI=1S/C18H17N3O2/c1-14-17(22)20(12-15-8-4-2-5-9-15)18(23)21(19-14)13-16-10-6-3-7-11-16/h2-11H,12-13H2,1H3
InChIKeyQYUMRERGOHWKDQ-UHFFFAOYSA-N
XLogP1.81
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-acetyl-3-methyl-4,5-diphenyl-1,3-dihydro-2H-imidazol-2-one
CID 899887
2-benzyl-6-styryl-4,5-dihydro-3(2H)-pyridazinone
CID 1472186
2-benzyl-6-(4-methylstyryl)-4,5-dihydro-3(2H)-pyridazinone
CID 1475374
N-acetyl-N-(2-acetyl-6-benzyl-7-oxo-3-phenyl-3H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-8-yl)acetamide
CID 70695838
2-benzyl-6-styryl-3(2H)-pyridazinone
CID 5707073
2,4-dibenzyl-1,2,4-triazine-3,5(2H,4H)-dione
CID 4436951
N-cyclohexyl-1-(3-fluorobenzyl)-N-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 42161900
1,3-dibenzyl-5-methyl-2,4(1H,3H)-pyrimidinedione
CID 3991306
4-Benzhydryl-6-bromo-2-methyl-1,2,4-triazine-3,5(2H,4H)-dione
CID 267924
N,N-dibenzyl-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 42161828
1-Acetyl-3-cyclohexyl-4,5-diphenylimidazol-2-one
CID 11772810
N-cyclohexyl-N-ethyl-1-(4-fluorobenzyl)-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 44062364

Frequently Asked Questions

What is the IUPAC name of 2,4-dibenzyl-6-methyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 2,4-dibenzyl-6-methyl-1,2,4-triazine-3,5-dione (CID 3991796) is 2,4-dibenzyl-6-methyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2,4-dibenzyl-6-methyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2,4-dibenzyl-6-methyl-1,2,4-triazine-3,5-dione is Cc1nn(Cc2ccccc2)c(=O)n(Cc2ccccc2)c1=O.
What is the InChIKey of 2,4-dibenzyl-6-methyl-1,2,4-triazine-3,5-dione?
The InChIKey is QYUMRERGOHWKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-14-17(22)20(12-15-8-4-2-5-9-15)18(23)21(19-14)13-16-10-6-3-7-11-16/h2-11H,12-13H2,1H3.
What are the key properties of 2,4-dibenzyl-6-methyl-1,2,4-triazine-3,5-dione?
2,4-dibenzyl-6-methyl-1,2,4-triazine-3,5-dione has a molecular weight of 307.35 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibenzyl-6-methyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 3991796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).