5-methyl-2-oxido-5-phenyltriazinane-4,6-dione

C10H10N3O3- — CID 163644161

IUPAC5-methyl-2-oxido-5-phenyltriazinane-4,6-dione
SMILESCC1(c2ccccc2)C(=O)NN([O-])NC1=O
InChIInChI=1S/C10H10N3O3/c1-10(7-5-3-2-4-6-7)8(14)11-13(16)12-9(10)15/h2-6H,1H3,(H,11,14)(H,12,15)/q-1
InChIKeyNOWIZUZWRWJGMO-UHFFFAOYSA-N
MW220.21 g/mol
LogP-0.18
Rot. Bonds1

About 5-methyl-2-oxido-5-phenyltriazinane-4,6-dione

5-methyl-2-oxido-5-phenyltriazinane-4,6-dione (PubChem CID 163644161) has the molecular formula C10H10N3O3- and a molecular weight of 220.21 g/mol. Its IUPAC name is 5-methyl-2-oxido-5-phenyltriazinane-4,6-dione.

Molecular Properties

Compound Name5-methyl-2-oxido-5-phenyltriazinane-4,6-dione
PubChem CID163644161
Molecular FormulaC10H10N3O3-
Molecular Weight220.21 g/mol
Exact Mass220.07
IUPAC Name5-methyl-2-oxido-5-phenyltriazinane-4,6-dione
SMILESCC1(c2ccccc2)C(=O)NN([O-])NC1=O
InChIInChI=1S/C10H10N3O3/c1-10(7-5-3-2-4-6-7)8(14)11-13(16)12-9(10)15/h2-6H,1H3,(H,11,14)(H,12,15)/q-1
InChIKeyNOWIZUZWRWJGMO-UHFFFAOYSA-N
XLogP-0.18
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.21
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 5-methyl-2-oxido-5-phenyltriazinane-4,6-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

(3S)-3-methyl-3-phenyl-1H-indol-2-one
CID 102419408
(3S)-3-methyl-3-phenylazetidin-2-one
CID 10329577
4,6-dimethyl-3a,6a-diphenyl-1,3-dihydroimidazo[4,5-d]imidazole-2,5-dione
CID 657701
(3S)-3-methyl-3-phenylpiperazin-2-one
CID 94410308
1,6-dimethyl-6-phenylpiperazine-2,5-dione
CID 64879749
(5S)-5-ethyl-1-methyl-5-phenylimidazolidine-2,4-dione
CID 45095321
2,3,4,5,6-pentamethyl-6-phenylcyclohexa-2,4-dien-1-one
CID 23266763
1-fluoro-2,3-dimethyl-2,3-diphenylaziridine
CID 134994319
3-benzyl-3-methylpyrrolidin-2-one
CID 10420013
5-methyl-5-phenyl-2,3-diazabicyclo[5.3.1]undeca-1(10),7(11),8-triene-4,6-dione
CID 90688423
(3S,4S)-3,4-dimethyl-3-phenylpyrrolidine-2,5-dione
CID 921939
(3aS,8aS)-2,2,5,7-tetramethyl-4,4,8,8-tetraphenyl-3a,8a-dihydro-[1,3]dioxolo[4,5-e][1,3]diazepin-6-one
CID 102457932

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-oxido-5-phenyltriazinane-4,6-dione?
The IUPAC name of 5-methyl-2-oxido-5-phenyltriazinane-4,6-dione (CID 163644161) is 5-methyl-2-oxido-5-phenyltriazinane-4,6-dione.
What is the SMILES notation for 5-methyl-2-oxido-5-phenyltriazinane-4,6-dione?
The canonical SMILES for 5-methyl-2-oxido-5-phenyltriazinane-4,6-dione is CC1(c2ccccc2)C(=O)NN([O-])NC1=O.
What is the InChIKey of 5-methyl-2-oxido-5-phenyltriazinane-4,6-dione?
The InChIKey is NOWIZUZWRWJGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N3O3/c1-10(7-5-3-2-4-6-7)8(14)11-13(16)12-9(10)15/h2-6H,1H3,(H,11,14)(H,12,15)/q-1.
What are the key properties of 5-methyl-2-oxido-5-phenyltriazinane-4,6-dione?
5-methyl-2-oxido-5-phenyltriazinane-4,6-dione has a molecular weight of 220.21 g/mol, XLogP of -0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-oxido-5-phenyltriazinane-4,6-dione is sourced from PubChem (CID 163644161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).