5,5-dimethyl-3-[2-[methyl-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]ethyl]imidazolidine-2,4-dione

C17H26N6O2 — CID 95600301

IUPAC5,5-dimethyl-3-[2-[methyl-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]ethyl]imidazolidine-2,4-dione
SMILESCN(CCN1C(=O)NC(C)(C)C1=O)C[C@@H]1CCCN1c1cccnn1
InChIInChI=1S/C17H26N6O2/c1-17(2)15(24)23(16(25)19-17)11-10-21(3)12-13-6-5-9-22(13)14-7-4-8-18-20-14/h4,7-8,13H,5-6,9-12H2,1-3H3,(H,19,25)/t13-/m0/s1
InChIKeyGFURMOPRCSPIAW-ZDUSSCGKSA-N
MW346.44 g/mol
LogP0.71
Rot. Bonds6

About 5,5-dimethyl-3-[2-[methyl-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]ethyl]imidazolidine-2,4-dione

5,5-dimethyl-3-[2-[methyl-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]ethyl]imidazolidine-2,4-dione (PubChem CID 95600301) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is 5,5-dimethyl-3-[2-[methyl-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[2-[methyl-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]ethyl]imidazolidine-2,4-dione
PubChem CID95600301
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC Name5,5-dimethyl-3-[2-[methyl-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]ethyl]imidazolidine-2,4-dione
SMILESCN(CCN1C(=O)NC(C)(C)C1=O)C[C@@H]1CCCN1c1cccnn1
InChIInChI=1S/C17H26N6O2/c1-17(2)15(24)23(16(25)19-17)11-10-21(3)12-13-6-5-9-22(13)14-7-4-8-18-20-14/h4,7-8,13H,5-6,9-12H2,1-3H3,(H,19,25)/t13-/m0/s1
InChIKeyGFURMOPRCSPIAW-ZDUSSCGKSA-N
XLogP0.71
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 5,5-dimethyl-3-[2-[methyl-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]ethyl]imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[2-[methyl-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]ethyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[2-[methyl-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]ethyl]imidazolidine-2,4-dione (CID 95600301) is 5,5-dimethyl-3-[2-[methyl-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[2-[methyl-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[2-[methyl-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]ethyl]imidazolidine-2,4-dione is CN(CCN1C(=O)NC(C)(C)C1=O)C[C@@H]1CCCN1c1cccnn1.
What is the InChIKey of 5,5-dimethyl-3-[2-[methyl-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]ethyl]imidazolidine-2,4-dione?
The InChIKey is GFURMOPRCSPIAW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-17(2)15(24)23(16(25)19-17)11-10-21(3)12-13-6-5-9-22(13)14-7-4-8-18-20-14/h4,7-8,13H,5-6,9-12H2,1-3H3,(H,19,25)/t13-/m0/s1.
What are the key properties of 5,5-dimethyl-3-[2-[methyl-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]ethyl]imidazolidine-2,4-dione?
5,5-dimethyl-3-[2-[methyl-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]ethyl]imidazolidine-2,4-dione has a molecular weight of 346.44 g/mol, XLogP of 0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[2-[methyl-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 95600301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).