2,4,9-triazaspiro[5.5]undecan-3-one

C8H15N3O — CID 22386654

IUPAC2,4,9-triazaspiro[5.5]undecan-3-one
SMILESO=C1NCC2(CCNCC2)CN1
InChIInChI=1S/C8H15N3O/c12-7-10-5-8(6-11-7)1-3-9-4-2-8/h9H,1-6H2,(H2,10,11,12)
InChIKeyWASNZWYTDZEYJN-UHFFFAOYSA-N
MW169.23 g/mol
LogP-0.33
Rot. Bonds

About 2,4,9-triazaspiro[5.5]undecan-3-one

2,4,9-triazaspiro[5.5]undecan-3-one (PubChem CID 22386654) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 2,4,9-triazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2,4,9-triazaspiro[5.5]undecan-3-one
PubChem CID22386654
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name2,4,9-triazaspiro[5.5]undecan-3-one
SMILESO=C1NCC2(CCNCC2)CN1
InChIInChI=1S/C8H15N3O/c12-7-10-5-8(6-11-7)1-3-9-4-2-8/h9H,1-6H2,(H2,10,11,12)
InChIKeyWASNZWYTDZEYJN-UHFFFAOYSA-N
XLogP-0.33
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2,4,9-triazaspiro[5.5]undecan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4,9-triazaspiro[5.5]undecan-3-one?
The IUPAC name of 2,4,9-triazaspiro[5.5]undecan-3-one (CID 22386654) is 2,4,9-triazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2,4,9-triazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2,4,9-triazaspiro[5.5]undecan-3-one is O=C1NCC2(CCNCC2)CN1.
What is the InChIKey of 2,4,9-triazaspiro[5.5]undecan-3-one?
The InChIKey is WASNZWYTDZEYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c12-7-10-5-8(6-11-7)1-3-9-4-2-8/h9H,1-6H2,(H2,10,11,12).
What are the key properties of 2,4,9-triazaspiro[5.5]undecan-3-one?
2,4,9-triazaspiro[5.5]undecan-3-one has a molecular weight of 169.23 g/mol, XLogP of -0.33, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,9-triazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 22386654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).