5-methyl-2,5,8-triazaspiro[3.5]nonan-9-one

C7H13N3O — CID 177042134

IUPAC5-methyl-2,5,8-triazaspiro[3.5]nonan-9-one
SMILESCN1CCNC(=O)C12CNC2
InChIInChI=1S/C7H13N3O/c1-10-3-2-9-6(11)7(10)4-8-5-7/h8H,2-5H2,1H3,(H,9,11)
InChIKeyDWPWXYSWPWOASY-UHFFFAOYSA-N
MW155.20 g/mol
LogP-1.61
Rot. Bonds

About 5-methyl-2,5,8-triazaspiro[3.5]nonan-9-one

5-methyl-2,5,8-triazaspiro[3.5]nonan-9-one (PubChem CID 177042134) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 5-methyl-2,5,8-triazaspiro[3.5]nonan-9-one.

Molecular Properties

Compound Name5-methyl-2,5,8-triazaspiro[3.5]nonan-9-one
PubChem CID177042134
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name5-methyl-2,5,8-triazaspiro[3.5]nonan-9-one
SMILESCN1CCNC(=O)C12CNC2
InChIInChI=1S/C7H13N3O/c1-10-3-2-9-6(11)7(10)4-8-5-7/h8H,2-5H2,1H3,(H,9,11)
InChIKeyDWPWXYSWPWOASY-UHFFFAOYSA-N
XLogP-1.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-1.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-methyl-2,5,8-triazaspiro[3.5]nonan-9-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 5-methyl-2,5,8-triazaspiro[3.5]nonan-9-one?
The IUPAC name of 5-methyl-2,5,8-triazaspiro[3.5]nonan-9-one (CID 177042134) is 5-methyl-2,5,8-triazaspiro[3.5]nonan-9-one.
What is the SMILES notation for 5-methyl-2,5,8-triazaspiro[3.5]nonan-9-one?
The canonical SMILES for 5-methyl-2,5,8-triazaspiro[3.5]nonan-9-one is CN1CCNC(=O)C12CNC2.
What is the InChIKey of 5-methyl-2,5,8-triazaspiro[3.5]nonan-9-one?
The InChIKey is DWPWXYSWPWOASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-10-3-2-9-6(11)7(10)4-8-5-7/h8H,2-5H2,1H3,(H,9,11).
What are the key properties of 5-methyl-2,5,8-triazaspiro[3.5]nonan-9-one?
5-methyl-2,5,8-triazaspiro[3.5]nonan-9-one has a molecular weight of 155.20 g/mol, XLogP of -1.61, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,5,8-triazaspiro[3.5]nonan-9-one is sourced from PubChem (CID 177042134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).