2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one

C9H16N4O — CID 50944319

IUPAC2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCN(C)C1=NC2(CCNCC2)C(=O)N1
InChIInChI=1S/C9H16N4O/c1-13(2)8-11-7(14)9(12-8)3-5-10-6-4-9/h10H,3-6H2,1-2H3,(H,11,12,14)
InChIKeyUDKDUQIRQMLNLV-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.84
Rot. Bonds

About 2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one

2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 50944319) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID50944319
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCN(C)C1=NC2(CCNCC2)C(=O)N1
InChIInChI=1S/C9H16N4O/c1-13(2)8-11-7(14)9(12-8)3-5-10-6-4-9/h10H,3-6H2,1-2H3,(H,11,12,14)
InChIKeyUDKDUQIRQMLNLV-UHFFFAOYSA-N
XLogP-0.84
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 50944319) is 2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one is CN(C)C1=NC2(CCNCC2)C(=O)N1.
What is the InChIKey of 2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is UDKDUQIRQMLNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-13(2)8-11-7(14)9(12-8)3-5-10-6-4-9/h10H,3-6H2,1-2H3,(H,11,12,14).
What are the key properties of 2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 196.25 g/mol, XLogP of -0.84, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 50944319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).