2,4-dimethyl-6-phenyl-1,2,4-triazine-3,5-dione

C11H11N3O2 — CID 583355

IUPAC2,4-dimethyl-6-phenyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(-c2ccccc2)c(=O)n(C)c1=O
InChIInChI=1S/C11H11N3O2/c1-13-10(15)9(12-14(2)11(13)16)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyGCAFLJIYOGRKIE-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.15
Rot. Bonds1

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

2,4-dimethyl-6-phenyl-1,2,4-triazine-3,5-dione (PubChem CID 583355) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 2,4-dimethyl-6-phenyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2,4-dimethyl-6-phenyl-1,2,4-triazine-3,5-dione
PubChem CID583355
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name2,4-dimethyl-6-phenyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(-c2ccccc2)c(=O)n(C)c1=O
InChIInChI=1S/C11H11N3O2/c1-13-10(15)9(12-14(2)11(13)16)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyGCAFLJIYOGRKIE-UHFFFAOYSA-N
XLogP0.15
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-Phenyl-1,2,4-triazine-3,5(2h,4h)-dione
CID 253363
2-Ethyl-6-phenyl-4,5-dihydropyridazin-3-one
CID 814967
6-phenyl-2-[(piperidin-1-yl)methyl]-4,5-dihydropyridazin-3(2H)-one
CID 1281627
6-Phenyl-2-(pyrrolidin-1-ylmethyl)-4,5-dihydro-2 H pyridazin-3-one
CID 46702672
2-(azepan-1-ylmethyl)-6-phenyl-4,5-dihydropyridazin-3(2H)-one
CID 60179363
1-Methylthiomethyl-5-phenyl-6-azauracil
CID 25198977
1-Ethoxymethyl-5-phenyl-6-azauracil
CID 25198978
5-Benzyl-1-ethoxymethyl-6-azauracil
CID 25198979
1-(2-Methylallyloxymethyl)-5-phenyl-6-azauracil
CID 25199117
1-(3-Cyclohexen-1-ylmethoxymethyl)-5-phenyl-6-azauracil
CID 25199120
1-Allyloxymethyl-5-phenyl-6-azauracil
CID 25199124
7-Methyl-2-phenylimidazo[1,2-a]pyrazin-3(7H)-one
CID 71346482

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-phenyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 2,4-dimethyl-6-phenyl-1,2,4-triazine-3,5-dione (CID 583355) is 2,4-dimethyl-6-phenyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2,4-dimethyl-6-phenyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2,4-dimethyl-6-phenyl-1,2,4-triazine-3,5-dione is Cn1nc(-c2ccccc2)c(=O)n(C)c1=O.
What is the InChIKey of 2,4-dimethyl-6-phenyl-1,2,4-triazine-3,5-dione?
The InChIKey is GCAFLJIYOGRKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-13-10(15)9(12-14(2)11(13)16)8-6-4-3-5-7-8/h3-7H,1-2H3.
What are the key properties of 2,4-dimethyl-6-phenyl-1,2,4-triazine-3,5-dione?
2,4-dimethyl-6-phenyl-1,2,4-triazine-3,5-dione has a molecular weight of 217.23 g/mol, XLogP of 0.15, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-phenyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 583355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).