1,3,7-triazaspiro[4.4]nonane-2,4-dione

C6H9N3O2 — CID 18442718

IUPAC1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC(=O)C2(CCNC2)N1
InChIInChI=1S/C6H9N3O2/c10-4-6(1-2-7-3-6)9-5(11)8-4/h7H,1-3H2,(H2,8,9,10,11)
InChIKeyYRYCOOMEQSXVLJ-UHFFFAOYSA-N
MW155.16 g/mol
LogP-1.44
Rot. Bonds

About 1,3,7-triazaspiro[4.4]nonane-2,4-dione

1,3,7-triazaspiro[4.4]nonane-2,4-dione (PubChem CID 18442718) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 1,3,7-triazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name1,3,7-triazaspiro[4.4]nonane-2,4-dione
PubChem CID18442718
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC(=O)C2(CCNC2)N1
InChIInChI=1S/C6H9N3O2/c10-4-6(1-2-7-3-6)9-5(11)8-4/h7H,1-3H2,(H2,8,9,10,11)
InChIKeyYRYCOOMEQSXVLJ-UHFFFAOYSA-N
XLogP-1.44
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-1.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 1,3,7-triazaspiro[4.4]nonane-2,4-dione (CID 18442718) is 1,3,7-triazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 1,3,7-triazaspiro[4.4]nonane-2,4-dione is O=C1NC(=O)C2(CCNC2)N1.
What is the InChIKey of 1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The InChIKey is YRYCOOMEQSXVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c10-4-6(1-2-7-3-6)9-5(11)8-4/h7H,1-3H2,(H2,8,9,10,11).
What are the key properties of 1,3,7-triazaspiro[4.4]nonane-2,4-dione?
1,3,7-triazaspiro[4.4]nonane-2,4-dione has a molecular weight of 155.16 g/mol, XLogP of -1.44, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,7-triazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 18442718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).