2-amino-8-(2,2-dimethylbutanoyl)imidazo[1,2-a][1,3,5]triazin-4-one

C11H15N5O2 — CID 69110224

IUPAC2-amino-8-(2,2-dimethylbutanoyl)imidazo[1,2-a][1,3,5]triazin-4-one
SMILESCCC(C)(C)C(=O)n1ccn2c(=O)nc(N)nc12
InChIInChI=1S/C11H15N5O2/c1-4-11(2,3)7(17)15-5-6-16-9(15)13-8(12)14-10(16)18/h5-6H,4H2,1-3H3,(H2,12,14,18)
InChIKeyCXOGKYMAEKMCKE-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.55
Rot. Bonds2

About 2-amino-8-(2,2-dimethylbutanoyl)imidazo[1,2-a][1,3,5]triazin-4-one

2-amino-8-(2,2-dimethylbutanoyl)imidazo[1,2-a][1,3,5]triazin-4-one (PubChem CID 69110224) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-amino-8-(2,2-dimethylbutanoyl)imidazo[1,2-a][1,3,5]triazin-4-one.

Molecular Properties

Compound Name2-amino-8-(2,2-dimethylbutanoyl)imidazo[1,2-a][1,3,5]triazin-4-one
PubChem CID69110224
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name2-amino-8-(2,2-dimethylbutanoyl)imidazo[1,2-a][1,3,5]triazin-4-one
SMILESCCC(C)(C)C(=O)n1ccn2c(=O)nc(N)nc12
InChIInChI=1S/C11H15N5O2/c1-4-11(2,3)7(17)15-5-6-16-9(15)13-8(12)14-10(16)18/h5-6H,4H2,1-3H3,(H2,12,14,18)
InChIKeyCXOGKYMAEKMCKE-UHFFFAOYSA-N
XLogP0.55
TPSA95.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-amino-8-(2,2-dimethylbutanoyl)imidazo[1,2-a][1,3,5]triazin-4-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-amino-8-(2,2-dimethylbutanoyl)imidazo[1,2-a][1,3,5]triazin-4-one?
The IUPAC name of 2-amino-8-(2,2-dimethylbutanoyl)imidazo[1,2-a][1,3,5]triazin-4-one (CID 69110224) is 2-amino-8-(2,2-dimethylbutanoyl)imidazo[1,2-a][1,3,5]triazin-4-one.
What is the SMILES notation for 2-amino-8-(2,2-dimethylbutanoyl)imidazo[1,2-a][1,3,5]triazin-4-one?
The canonical SMILES for 2-amino-8-(2,2-dimethylbutanoyl)imidazo[1,2-a][1,3,5]triazin-4-one is CCC(C)(C)C(=O)n1ccn2c(=O)nc(N)nc12.
What is the InChIKey of 2-amino-8-(2,2-dimethylbutanoyl)imidazo[1,2-a][1,3,5]triazin-4-one?
The InChIKey is CXOGKYMAEKMCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-4-11(2,3)7(17)15-5-6-16-9(15)13-8(12)14-10(16)18/h5-6H,4H2,1-3H3,(H2,12,14,18).
What are the key properties of 2-amino-8-(2,2-dimethylbutanoyl)imidazo[1,2-a][1,3,5]triazin-4-one?
2-amino-8-(2,2-dimethylbutanoyl)imidazo[1,2-a][1,3,5]triazin-4-one has a molecular weight of 249.27 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-(2,2-dimethylbutanoyl)imidazo[1,2-a][1,3,5]triazin-4-one is sourced from PubChem (CID 69110224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).