5-cyclopropyl-5-[3-[(3S)-3-methyl-4-pyridazin-3-ylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione

C18H24N6O3 — CID 121437608

IUPAC5-cyclopropyl-5-[3-[(3S)-3-methyl-4-pyridazin-3-ylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESC[C@H]1CN(C(=O)CCC2(C3CC3)NC(=O)NC2=O)CCN1c1cccnn1
InChIInChI=1S/C18H24N6O3/c1-12-11-23(9-10-24(12)14-3-2-8-19-22-14)15(25)6-7-18(13-4-5-13)16(26)20-17(27)21-18/h2-3,8,12-13H,4-7,9-11H2,1H3,(H2,20,21,26,27)/t12-,18?/m0/s1
InChIKeyZMZOIBBWYXGPDV-RSXQAXDFSA-N
MW372.43 g/mol
LogP0.28
Rot. Bonds5

About 5-cyclopropyl-5-[3-[(3S)-3-methyl-4-pyridazin-3-ylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione

5-cyclopropyl-5-[3-[(3S)-3-methyl-4-pyridazin-3-ylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione (PubChem CID 121437608) has the molecular formula C18H24N6O3 and a molecular weight of 372.43 g/mol. Its IUPAC name is 5-cyclopropyl-5-[3-[(3S)-3-methyl-4-pyridazin-3-ylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-cyclopropyl-5-[3-[(3S)-3-methyl-4-pyridazin-3-ylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
PubChem CID121437608
Molecular FormulaC18H24N6O3
Molecular Weight372.43 g/mol
Exact Mass372.19
IUPAC Name5-cyclopropyl-5-[3-[(3S)-3-methyl-4-pyridazin-3-ylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESC[C@H]1CN(C(=O)CCC2(C3CC3)NC(=O)NC2=O)CCN1c1cccnn1
InChIInChI=1S/C18H24N6O3/c1-12-11-23(9-10-24(12)14-3-2-8-19-22-14)15(25)6-7-18(13-4-5-13)16(26)20-17(27)21-18/h2-3,8,12-13H,4-7,9-11H2,1H3,(H2,20,21,26,27)/t12-,18?/m0/s1
InChIKeyZMZOIBBWYXGPDV-RSXQAXDFSA-N
XLogP0.28
TPSA107.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-5-[3-[(3S)-3-methyl-4-pyridazin-3-ylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The IUPAC name of 5-cyclopropyl-5-[3-[(3S)-3-methyl-4-pyridazin-3-ylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione (CID 121437608) is 5-cyclopropyl-5-[3-[(3S)-3-methyl-4-pyridazin-3-ylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-cyclopropyl-5-[3-[(3S)-3-methyl-4-pyridazin-3-ylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-cyclopropyl-5-[3-[(3S)-3-methyl-4-pyridazin-3-ylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione is C[C@H]1CN(C(=O)CCC2(C3CC3)NC(=O)NC2=O)CCN1c1cccnn1.
What is the InChIKey of 5-cyclopropyl-5-[3-[(3S)-3-methyl-4-pyridazin-3-ylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The InChIKey is ZMZOIBBWYXGPDV-RSXQAXDFSA-N. The full InChI is InChI=1S/C18H24N6O3/c1-12-11-23(9-10-24(12)14-3-2-8-19-22-14)15(25)6-7-18(13-4-5-13)16(26)20-17(27)21-18/h2-3,8,12-13H,4-7,9-11H2,1H3,(H2,20,21,26,27)/t12-,18?/m0/s1.
What are the key properties of 5-cyclopropyl-5-[3-[(3S)-3-methyl-4-pyridazin-3-ylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
5-cyclopropyl-5-[3-[(3S)-3-methyl-4-pyridazin-3-ylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione has a molecular weight of 372.43 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-5-[3-[(3S)-3-methyl-4-pyridazin-3-ylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 121437608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).