3,4-dihydro-1H-imidazo[1,2-a]purine-2,9-dione

C7H5N5O2 — CID 172879900

IUPAC3,4-dihydro-1H-imidazo[1,2-a]purine-2,9-dione
SMILESO=c1[nH]c2[nH]c3nccn3c(=O)c2[nH]1
InChIInChI=1S/C7H5N5O2/c13-5-3-4(11-7(14)9-3)10-6-8-1-2-12(5)6/h1-2H,(H,8,10)(H2,9,11,14)
InChIKeyZEXJWTSMBJRGGG-UHFFFAOYSA-N
MW191.15 g/mol
LogP-0.81
Rot. Bonds

About 3,4-dihydro-1H-imidazo[1,2-a]purine-2,9-dione

3,4-dihydro-1H-imidazo[1,2-a]purine-2,9-dione (PubChem CID 172879900) has the molecular formula C7H5N5O2 and a molecular weight of 191.15 g/mol. Its IUPAC name is 3,4-dihydro-1H-imidazo[1,2-a]purine-2,9-dione.

Molecular Properties

Compound Name3,4-dihydro-1H-imidazo[1,2-a]purine-2,9-dione
PubChem CID172879900
Molecular FormulaC7H5N5O2
Molecular Weight191.15 g/mol
Exact Mass191.04
IUPAC Name3,4-dihydro-1H-imidazo[1,2-a]purine-2,9-dione
SMILESO=c1[nH]c2[nH]c3nccn3c(=O)c2[nH]1
InChIInChI=1S/C7H5N5O2/c13-5-3-4(11-7(14)9-3)10-6-8-1-2-12(5)6/h1-2H,(H,8,10)(H2,9,11,14)
InChIKeyZEXJWTSMBJRGGG-UHFFFAOYSA-N
XLogP-0.81
TPSA98.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3,4-dihydro-1H-imidazo[1,2-a]purine-2,9-dione 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 3,4-dihydro-1H-imidazo[1,2-a]purine-2,9-dione?
The IUPAC name of 3,4-dihydro-1H-imidazo[1,2-a]purine-2,9-dione (CID 172879900) is 3,4-dihydro-1H-imidazo[1,2-a]purine-2,9-dione.
What is the SMILES notation for 3,4-dihydro-1H-imidazo[1,2-a]purine-2,9-dione?
The canonical SMILES for 3,4-dihydro-1H-imidazo[1,2-a]purine-2,9-dione is O=c1[nH]c2[nH]c3nccn3c(=O)c2[nH]1.
What is the InChIKey of 3,4-dihydro-1H-imidazo[1,2-a]purine-2,9-dione?
The InChIKey is ZEXJWTSMBJRGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N5O2/c13-5-3-4(11-7(14)9-3)10-6-8-1-2-12(5)6/h1-2H,(H,8,10)(H2,9,11,14).
What are the key properties of 3,4-dihydro-1H-imidazo[1,2-a]purine-2,9-dione?
3,4-dihydro-1H-imidazo[1,2-a]purine-2,9-dione has a molecular weight of 191.15 g/mol, XLogP of -0.81, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-imidazo[1,2-a]purine-2,9-dione is sourced from PubChem (CID 172879900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).