2-(4-bromo-2-pyridinyl)-2,5,7-triazaspiro[3.4]octane-6,8-dione

C10H9BrN4O2 — CID 146149008

IUPAC2-(4-bromo-2-pyridinyl)-2,5,7-triazaspiro[3.4]octane-6,8-dione
SMILESO=C1NC(=O)C2(CN(c3cc(Br)ccn3)C2)N1
InChIInChI=1S/C10H9BrN4O2/c11-6-1-2-12-7(3-6)15-4-10(5-15)8(16)13-9(17)14-10/h1-3H,4-5H2,(H2,13,14,16,17)
InChIKeyIVEMAXOPOXUEKD-UHFFFAOYSA-N
MW297.11 g/mol
LogP0.24
Rot. Bonds1

About 2-(4-bromo-2-pyridinyl)-2,5,7-triazaspiro[3.4]octane-6,8-dione

2-(4-bromo-2-pyridinyl)-2,5,7-triazaspiro[3.4]octane-6,8-dione (PubChem CID 146149008) has the molecular formula C10H9BrN4O2 and a molecular weight of 297.11 g/mol. Its IUPAC name is 2-(4-bromo-2-pyridinyl)-2,5,7-triazaspiro[3.4]octane-6,8-dione.

Molecular Properties

Compound Name2-(4-bromo-2-pyridinyl)-2,5,7-triazaspiro[3.4]octane-6,8-dione
PubChem CID146149008
Molecular FormulaC10H9BrN4O2
Molecular Weight297.11 g/mol
Exact Mass295.99
IUPAC Name2-(4-bromo-2-pyridinyl)-2,5,7-triazaspiro[3.4]octane-6,8-dione
SMILESO=C1NC(=O)C2(CN(c3cc(Br)ccn3)C2)N1
InChIInChI=1S/C10H9BrN4O2/c11-6-1-2-12-7(3-6)15-4-10(5-15)8(16)13-9(17)14-10/h1-3H,4-5H2,(H2,13,14,16,17)
InChIKeyIVEMAXOPOXUEKD-UHFFFAOYSA-N
XLogP0.24
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.11
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-pyridinyl)-2,5,7-triazaspiro[3.4]octane-6,8-dione?
The IUPAC name of 2-(4-bromo-2-pyridinyl)-2,5,7-triazaspiro[3.4]octane-6,8-dione (CID 146149008) is 2-(4-bromo-2-pyridinyl)-2,5,7-triazaspiro[3.4]octane-6,8-dione.
What is the SMILES notation for 2-(4-bromo-2-pyridinyl)-2,5,7-triazaspiro[3.4]octane-6,8-dione?
The canonical SMILES for 2-(4-bromo-2-pyridinyl)-2,5,7-triazaspiro[3.4]octane-6,8-dione is O=C1NC(=O)C2(CN(c3cc(Br)ccn3)C2)N1.
What is the InChIKey of 2-(4-bromo-2-pyridinyl)-2,5,7-triazaspiro[3.4]octane-6,8-dione?
The InChIKey is IVEMAXOPOXUEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4O2/c11-6-1-2-12-7(3-6)15-4-10(5-15)8(16)13-9(17)14-10/h1-3H,4-5H2,(H2,13,14,16,17).
What are the key properties of 2-(4-bromo-2-pyridinyl)-2,5,7-triazaspiro[3.4]octane-6,8-dione?
2-(4-bromo-2-pyridinyl)-2,5,7-triazaspiro[3.4]octane-6,8-dione has a molecular weight of 297.11 g/mol, XLogP of 0.24, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-pyridinyl)-2,5,7-triazaspiro[3.4]octane-6,8-dione is sourced from PubChem (CID 146149008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).