1,2-diaminopyrazolidine-3,5-dione

C3H6N4O2 — CID 150306808

IUPAC1,2-diaminopyrazolidine-3,5-dione
SMILESNN1C(=O)CC(=O)N1N
InChIInChI=1S/C3H6N4O2/c4-6-2(8)1-3(9)7(6)5/h1,4-5H2
InChIKeyGKTSEDYLEXADDL-UHFFFAOYSA-N
MW130.11 g/mol
LogP-2.29
Rot. Bonds

About 1,2-diaminopyrazolidine-3,5-dione

1,2-diaminopyrazolidine-3,5-dione (PubChem CID 150306808) has the molecular formula C3H6N4O2 and a molecular weight of 130.11 g/mol. Its IUPAC name is 1,2-diaminopyrazolidine-3,5-dione.

Molecular Properties

Compound Name1,2-diaminopyrazolidine-3,5-dione
PubChem CID150306808
Molecular FormulaC3H6N4O2
Molecular Weight130.11 g/mol
Exact Mass130.05
IUPAC Name1,2-diaminopyrazolidine-3,5-dione
SMILESNN1C(=O)CC(=O)N1N
InChIInChI=1S/C3H6N4O2/c4-6-2(8)1-3(9)7(6)5/h1,4-5H2
InChIKeyGKTSEDYLEXADDL-UHFFFAOYSA-N
XLogP-2.29
TPSA92.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.11
LogP ≤ 5-2.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,2-diaminopyrazolidine-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

Related Compounds

Pyrazolidine-3,5-dione
CID 4295838
1-Aminopyrazolidine-3,5-dione
CID 166990568

Frequently Asked Questions

What is the IUPAC name of 1,2-diaminopyrazolidine-3,5-dione?
The IUPAC name of 1,2-diaminopyrazolidine-3,5-dione (CID 150306808) is 1,2-diaminopyrazolidine-3,5-dione.
What is the SMILES notation for 1,2-diaminopyrazolidine-3,5-dione?
The canonical SMILES for 1,2-diaminopyrazolidine-3,5-dione is NN1C(=O)CC(=O)N1N.
What is the InChIKey of 1,2-diaminopyrazolidine-3,5-dione?
The InChIKey is GKTSEDYLEXADDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N4O2/c4-6-2(8)1-3(9)7(6)5/h1,4-5H2.
What are the key properties of 1,2-diaminopyrazolidine-3,5-dione?
1,2-diaminopyrazolidine-3,5-dione has a molecular weight of 130.11 g/mol, XLogP of -2.29, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diaminopyrazolidine-3,5-dione is sourced from PubChem (CID 150306808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).