1,2,4-trimethylpyrazolidine-3,5-dione

C6H10N2O2 — CID 18725070

IUPAC1,2,4-trimethylpyrazolidine-3,5-dione
SMILESCC1C(=O)N(C)N(C)C1=O
InChIInChI=1S/C6H10N2O2/c1-4-5(9)7(2)8(3)6(4)10/h4H,1-3H3
InChIKeyGQTXHEGOACOIPA-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.53
Rot. Bonds

About 1,2,4-trimethylpyrazolidine-3,5-dione

1,2,4-trimethylpyrazolidine-3,5-dione (PubChem CID 18725070) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 1,2,4-trimethylpyrazolidine-3,5-dione.

Molecular Properties

Compound Name1,2,4-trimethylpyrazolidine-3,5-dione
PubChem CID18725070
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name1,2,4-trimethylpyrazolidine-3,5-dione
SMILESCC1C(=O)N(C)N(C)C1=O
InChIInChI=1S/C6H10N2O2/c1-4-5(9)7(2)8(3)6(4)10/h4H,1-3H3
InChIKeyGQTXHEGOACOIPA-UHFFFAOYSA-N
XLogP-0.53
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_B(12)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1,2,4-trimethylpyrazolidine-3,5-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 1,2,4-trimethylpyrazolidine-3,5-dione?
The IUPAC name of 1,2,4-trimethylpyrazolidine-3,5-dione (CID 18725070) is 1,2,4-trimethylpyrazolidine-3,5-dione.
What is the SMILES notation for 1,2,4-trimethylpyrazolidine-3,5-dione?
The canonical SMILES for 1,2,4-trimethylpyrazolidine-3,5-dione is CC1C(=O)N(C)N(C)C1=O.
What is the InChIKey of 1,2,4-trimethylpyrazolidine-3,5-dione?
The InChIKey is GQTXHEGOACOIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-4-5(9)7(2)8(3)6(4)10/h4H,1-3H3.
What are the key properties of 1,2,4-trimethylpyrazolidine-3,5-dione?
1,2,4-trimethylpyrazolidine-3,5-dione has a molecular weight of 142.16 g/mol, XLogP of -0.53, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trimethylpyrazolidine-3,5-dione is sourced from PubChem (CID 18725070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).