1,3-bis(3-amino-2-hydroxypropyl)imidazolidine-2,4,5-trione

C9H16N4O5 — CID 139973010

IUPAC1,3-bis(3-amino-2-hydroxypropyl)imidazolidine-2,4,5-trione
SMILESNCC(O)CN1C(=O)C(=O)N(CC(O)CN)C1=O
InChIInChI=1S/C9H16N4O5/c10-1-5(14)3-12-7(16)8(17)13(9(12)18)4-6(15)2-11/h5-6,14-15H,1-4,10-11H2
InChIKeyOUOUNKPUBLUGHD-UHFFFAOYSA-N
MW260.25 g/mol
LogP-3.58
Rot. Bonds6

About 1,3-bis(3-amino-2-hydroxypropyl)imidazolidine-2,4,5-trione

1,3-bis(3-amino-2-hydroxypropyl)imidazolidine-2,4,5-trione (PubChem CID 139973010) has the molecular formula C9H16N4O5 and a molecular weight of 260.25 g/mol. Its IUPAC name is 1,3-bis(3-amino-2-hydroxypropyl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1,3-bis(3-amino-2-hydroxypropyl)imidazolidine-2,4,5-trione
PubChem CID139973010
Molecular FormulaC9H16N4O5
Molecular Weight260.25 g/mol
Exact Mass260.11
IUPAC Name1,3-bis(3-amino-2-hydroxypropyl)imidazolidine-2,4,5-trione
SMILESNCC(O)CN1C(=O)C(=O)N(CC(O)CN)C1=O
InChIInChI=1S/C9H16N4O5/c10-1-5(14)3-12-7(16)8(17)13(9(12)18)4-6(15)2-11/h5-6,14-15H,1-4,10-11H2
InChIKeyOUOUNKPUBLUGHD-UHFFFAOYSA-N
XLogP-3.58
TPSA150.19 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 5-3.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1,3-bis(3-amino-2-hydroxypropyl)imidazolidine-2,4,5-trione 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 1,3-bis(3-amino-2-hydroxypropyl)imidazolidine-2,4,5-trione?
The IUPAC name of 1,3-bis(3-amino-2-hydroxypropyl)imidazolidine-2,4,5-trione (CID 139973010) is 1,3-bis(3-amino-2-hydroxypropyl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1,3-bis(3-amino-2-hydroxypropyl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1,3-bis(3-amino-2-hydroxypropyl)imidazolidine-2,4,5-trione is NCC(O)CN1C(=O)C(=O)N(CC(O)CN)C1=O.
What is the InChIKey of 1,3-bis(3-amino-2-hydroxypropyl)imidazolidine-2,4,5-trione?
The InChIKey is OUOUNKPUBLUGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O5/c10-1-5(14)3-12-7(16)8(17)13(9(12)18)4-6(15)2-11/h5-6,14-15H,1-4,10-11H2.
What are the key properties of 1,3-bis(3-amino-2-hydroxypropyl)imidazolidine-2,4,5-trione?
1,3-bis(3-amino-2-hydroxypropyl)imidazolidine-2,4,5-trione has a molecular weight of 260.25 g/mol, XLogP of -3.58, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(3-amino-2-hydroxypropyl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 139973010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).