2,2-dimethyl-3-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]propanehydrazide

C10H15F3N4O3 — CID 79630523

IUPAC2,2-dimethyl-3-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]propanehydrazide
SMILESCC(C)(CN1C(=O)NC(C)(C(F)(F)F)C1=O)C(=O)NN
InChIInChI=1S/C10H15F3N4O3/c1-8(2,5(18)16-14)4-17-6(19)9(3,10(11,12)13)15-7(17)20/h4,14H2,1-3H3,(H,15,20)(H,16,18)
InChIKeyQTFRBTYXVAVFAJ-UHFFFAOYSA-N
MW296.25 g/mol
LogP-0.12
Rot. Bonds3

About 2,2-dimethyl-3-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]propanehydrazide

2,2-dimethyl-3-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]propanehydrazide (PubChem CID 79630523) has the molecular formula C10H15F3N4O3 and a molecular weight of 296.25 g/mol. Its IUPAC name is 2,2-dimethyl-3-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]propanehydrazide.

Molecular Properties

Compound Name2,2-dimethyl-3-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]propanehydrazide
PubChem CID79630523
Molecular FormulaC10H15F3N4O3
Molecular Weight296.25 g/mol
Exact Mass296.11
IUPAC Name2,2-dimethyl-3-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]propanehydrazide
SMILESCC(C)(CN1C(=O)NC(C)(C(F)(F)F)C1=O)C(=O)NN
InChIInChI=1S/C10H15F3N4O3/c1-8(2,5(18)16-14)4-17-6(19)9(3,10(11,12)13)15-7(17)20/h4,14H2,1-3H3,(H,15,20)(H,16,18)
InChIKeyQTFRBTYXVAVFAJ-UHFFFAOYSA-N
XLogP-0.12
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]propanehydrazide?
The IUPAC name of 2,2-dimethyl-3-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]propanehydrazide (CID 79630523) is 2,2-dimethyl-3-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]propanehydrazide.
What is the SMILES notation for 2,2-dimethyl-3-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]propanehydrazide?
The canonical SMILES for 2,2-dimethyl-3-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]propanehydrazide is CC(C)(CN1C(=O)NC(C)(C(F)(F)F)C1=O)C(=O)NN.
What is the InChIKey of 2,2-dimethyl-3-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]propanehydrazide?
The InChIKey is QTFRBTYXVAVFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O3/c1-8(2,5(18)16-14)4-17-6(19)9(3,10(11,12)13)15-7(17)20/h4,14H2,1-3H3,(H,15,20)(H,16,18).
What are the key properties of 2,2-dimethyl-3-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]propanehydrazide?
2,2-dimethyl-3-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]propanehydrazide has a molecular weight of 296.25 g/mol, XLogP of -0.12, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]propanehydrazide is sourced from PubChem (CID 79630523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).