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

C7H11N3O2 — CID 83873875

IUPAC1-methyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESCN1C(=O)NC(=O)C12CCNC2
InChIInChI=1S/C7H11N3O2/c1-10-6(12)9-5(11)7(10)2-3-8-4-7/h8H,2-4H2,1H3,(H,9,11,12)
InChIKeyUSNSYOFKXNYGSY-UHFFFAOYSA-N
MW169.18 g/mol
LogP-1.10
Rot. Bonds

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

1-methyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione (PubChem CID 83873875) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 1-methyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name1-methyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
PubChem CID83873875
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name1-methyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESCN1C(=O)NC(=O)C12CCNC2
InChIInChI=1S/C7H11N3O2/c1-10-6(12)9-5(11)7(10)2-3-8-4-7/h8H,2-4H2,1H3,(H,9,11,12)
InChIKeyUSNSYOFKXNYGSY-UHFFFAOYSA-N
XLogP-1.10
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
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-methyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 1-methyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione (CID 83873875) is 1-methyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 1-methyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 1-methyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione is CN1C(=O)NC(=O)C12CCNC2.
What is the InChIKey of 1-methyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The InChIKey is USNSYOFKXNYGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-10-6(12)9-5(11)7(10)2-3-8-4-7/h8H,2-4H2,1H3,(H,9,11,12).
What are the key properties of 1-methyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
1-methyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione has a molecular weight of 169.18 g/mol, XLogP of -1.10, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 83873875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).