8-(5-chloropyrazine-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C12H12ClN5O3 — CID 103803365

IUPAC8-(5-chloropyrazine-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCN(C(=O)c3cnc(Cl)cn3)CC2)N1
InChIInChI=1S/C12H12ClN5O3/c13-8-6-14-7(5-15-8)9(19)18-3-1-12(2-4-18)10(20)16-11(21)17-12/h5-6H,1-4H2,(H2,16,17,20,21)
InChIKeyAYOKKPRMLNYWIM-UHFFFAOYSA-N
MW309.71 g/mol
LogP-0.06
Rot. Bonds1

About 8-(5-chloropyrazine-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-(5-chloropyrazine-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 103803365) has the molecular formula C12H12ClN5O3 and a molecular weight of 309.71 g/mol. Its IUPAC name is 8-(5-chloropyrazine-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(5-chloropyrazine-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID103803365
Molecular FormulaC12H12ClN5O3
Molecular Weight309.71 g/mol
Exact Mass309.06
IUPAC Name8-(5-chloropyrazine-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCN(C(=O)c3cnc(Cl)cn3)CC2)N1
InChIInChI=1S/C12H12ClN5O3/c13-8-6-14-7(5-15-8)9(19)18-3-1-12(2-4-18)10(20)16-11(21)17-12/h5-6H,1-4H2,(H2,16,17,20,21)
InChIKeyAYOKKPRMLNYWIM-UHFFFAOYSA-N
XLogP-0.06
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.71
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(5-chloropyrazine-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(5-chloropyrazine-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 103803365) is 8-(5-chloropyrazine-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(5-chloropyrazine-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(5-chloropyrazine-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is O=C1NC(=O)C2(CCN(C(=O)c3cnc(Cl)cn3)CC2)N1.
What is the InChIKey of 8-(5-chloropyrazine-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is AYOKKPRMLNYWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN5O3/c13-8-6-14-7(5-15-8)9(19)18-3-1-12(2-4-18)10(20)16-11(21)17-12/h5-6H,1-4H2,(H2,16,17,20,21).
What are the key properties of 8-(5-chloropyrazine-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(5-chloropyrazine-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 309.71 g/mol, XLogP of -0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-chloropyrazine-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 103803365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).