8-ethyl-1,3-diphenyl-8a-propan-2-yl-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione

C22H26N4O2 — CID 132990718

IUPAC8-ethyl-1,3-diphenyl-8a-propan-2-yl-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione
SMILESCCN1CCN2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C12C(C)C
InChIInChI=1S/C22H26N4O2/c1-4-23-15-16-24-20(27)25(18-11-7-5-8-12-18)21(28)26(22(23,24)17(2)3)19-13-9-6-10-14-19/h5-14,17H,4,15-16H2,1-3H3
InChIKeyBQBJASUDXSRGBF-UHFFFAOYSA-N
MW378.48 g/mol
LogP4.20
Rot. Bonds4

About 8-ethyl-1,3-diphenyl-8a-propan-2-yl-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione

8-ethyl-1,3-diphenyl-8a-propan-2-yl-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione (PubChem CID 132990718) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 8-ethyl-1,3-diphenyl-8a-propan-2-yl-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione.

Molecular Properties

Compound Name8-ethyl-1,3-diphenyl-8a-propan-2-yl-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione
PubChem CID132990718
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name8-ethyl-1,3-diphenyl-8a-propan-2-yl-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione
SMILESCCN1CCN2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C12C(C)C
InChIInChI=1S/C22H26N4O2/c1-4-23-15-16-24-20(27)25(18-11-7-5-8-12-18)21(28)26(22(23,24)17(2)3)19-13-9-6-10-14-19/h5-14,17H,4,15-16H2,1-3H3
InChIKeyBQBJASUDXSRGBF-UHFFFAOYSA-N
XLogP4.20
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-ethyl-1,3-diphenyl-8a-propan-2-yl-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione with MolForge

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Related Compounds

(8aS)-8a-(nitromethyl)-1,3-diphenyl-7,8-dihydro-6H-pyrrolo[1,2-a][1,3,5]triazine-2,4-dione
CID 2078821
3-phenyl-1-propan-2-yl-1,3-diazinane-2,4-dione
CID 2812854
(4R)-1-[(2R)-butan-2-yl]-4-hydroxy-4,6,6-trimethyl-3-phenyl-1,3-diazinan-2-one
CID 909123
3,4-diethyl-1-phenylpyrrolidine-2,5-dione
CID 20609571
1,5-diphenyl-1,5-diazocane-2,4,6,8-tetrone
CID 155228922
3-pentan-2-yl-1-phenylpyrrolidine-2,5-dione
CID 122494983
(3R)-3-ethyl-3-methyl-1-phenylpyrrolidine-2,5-dione
CID 1331361
1-(4-methylphenyl)-3-phenyl-1,3-diazinane-2,4,6-trione
CID 20607089
ethane;1-phenyl-5,5-di(propan-2-yl)imidazolidin-4-one
CID 159568880
3,4-dimethyl-1-phenyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 123938434
3,3-diethyl-1-phenylpiperidine-2,6-dione
CID 3028428
1-phenyl-3-propylimidazolidine-2,4,5-trione
CID 13310932

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-1,3-diphenyl-8a-propan-2-yl-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione?
The IUPAC name of 8-ethyl-1,3-diphenyl-8a-propan-2-yl-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione (CID 132990718) is 8-ethyl-1,3-diphenyl-8a-propan-2-yl-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione.
What is the SMILES notation for 8-ethyl-1,3-diphenyl-8a-propan-2-yl-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione?
The canonical SMILES for 8-ethyl-1,3-diphenyl-8a-propan-2-yl-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione is CCN1CCN2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C12C(C)C.
What is the InChIKey of 8-ethyl-1,3-diphenyl-8a-propan-2-yl-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione?
The InChIKey is BQBJASUDXSRGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-4-23-15-16-24-20(27)25(18-11-7-5-8-12-18)21(28)26(22(23,24)17(2)3)19-13-9-6-10-14-19/h5-14,17H,4,15-16H2,1-3H3.
What are the key properties of 8-ethyl-1,3-diphenyl-8a-propan-2-yl-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione?
8-ethyl-1,3-diphenyl-8a-propan-2-yl-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione has a molecular weight of 378.48 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-1,3-diphenyl-8a-propan-2-yl-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione is sourced from PubChem (CID 132990718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).