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

C9H14N6O — CID 58603094

IUPAC2-amino-8-[2-(dimethylamino)ethyl]imidazo[1,2-a][1,3,5]triazin-4-one
SMILESCN(C)CCn1ccn2c(=O)nc(N)nc12
InChIInChI=1S/C9H14N6O/c1-13(2)3-4-14-5-6-15-8(14)11-7(10)12-9(15)16/h5-6H,3-4H2,1-2H3,(H2,10,12,16)
InChIKeyTWQHRTIJURVUMJ-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.97
Rot. Bonds3

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

2-amino-8-[2-(dimethylamino)ethyl]imidazo[1,2-a][1,3,5]triazin-4-one (PubChem CID 58603094) has the molecular formula C9H14N6O and a molecular weight of 222.25 g/mol. Its IUPAC name is 2-amino-8-[2-(dimethylamino)ethyl]imidazo[1,2-a][1,3,5]triazin-4-one.

Molecular Properties

Compound Name2-amino-8-[2-(dimethylamino)ethyl]imidazo[1,2-a][1,3,5]triazin-4-one
PubChem CID58603094
Molecular FormulaC9H14N6O
Molecular Weight222.25 g/mol
Exact Mass222.12
IUPAC Name2-amino-8-[2-(dimethylamino)ethyl]imidazo[1,2-a][1,3,5]triazin-4-one
SMILESCN(C)CCn1ccn2c(=O)nc(N)nc12
InChIInChI=1S/C9H14N6O/c1-13(2)3-4-14-5-6-15-8(14)11-7(10)12-9(15)16/h5-6H,3-4H2,1-2H3,(H2,10,12,16)
InChIKeyTWQHRTIJURVUMJ-UHFFFAOYSA-N
XLogP-0.97
TPSA81.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-amino-8-[2-(dimethylamino)ethyl]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-(dimethylamino)ethyl]imidazo[1,2-a][1,3,5]triazin-4-one?
The IUPAC name of 2-amino-8-[2-(dimethylamino)ethyl]imidazo[1,2-a][1,3,5]triazin-4-one (CID 58603094) is 2-amino-8-[2-(dimethylamino)ethyl]imidazo[1,2-a][1,3,5]triazin-4-one.
What is the SMILES notation for 2-amino-8-[2-(dimethylamino)ethyl]imidazo[1,2-a][1,3,5]triazin-4-one?
The canonical SMILES for 2-amino-8-[2-(dimethylamino)ethyl]imidazo[1,2-a][1,3,5]triazin-4-one is CN(C)CCn1ccn2c(=O)nc(N)nc12.
What is the InChIKey of 2-amino-8-[2-(dimethylamino)ethyl]imidazo[1,2-a][1,3,5]triazin-4-one?
The InChIKey is TWQHRTIJURVUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O/c1-13(2)3-4-14-5-6-15-8(14)11-7(10)12-9(15)16/h5-6H,3-4H2,1-2H3,(H2,10,12,16).
What are the key properties of 2-amino-8-[2-(dimethylamino)ethyl]imidazo[1,2-a][1,3,5]triazin-4-one?
2-amino-8-[2-(dimethylamino)ethyl]imidazo[1,2-a][1,3,5]triazin-4-one has a molecular weight of 222.25 g/mol, XLogP of -0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-[2-(dimethylamino)ethyl]imidazo[1,2-a][1,3,5]triazin-4-one is sourced from PubChem (CID 58603094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).