4-[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]piperazine-2,6-dione

C13H16N6O2 — CID 80832762

IUPAC4-[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]piperazine-2,6-dione
SMILESCCCNc1cn2ccnc2c(N2CC(=O)NC(=O)C2)n1
InChIInChI=1S/C13H16N6O2/c1-2-3-14-9-6-18-5-4-15-12(18)13(16-9)19-7-10(20)17-11(21)8-19/h4-6,14H,2-3,7-8H2,1H3,(H,17,20,21)
InChIKeyRFLYMUUQGVRRJM-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.01
Rot. Bonds4

About 4-[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]piperazine-2,6-dione

4-[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]piperazine-2,6-dione (PubChem CID 80832762) has the molecular formula C13H16N6O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 4-[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]piperazine-2,6-dione.

Molecular Properties

Compound Name4-[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]piperazine-2,6-dione
PubChem CID80832762
Molecular FormulaC13H16N6O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC Name4-[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]piperazine-2,6-dione
SMILESCCCNc1cn2ccnc2c(N2CC(=O)NC(=O)C2)n1
InChIInChI=1S/C13H16N6O2/c1-2-3-14-9-6-18-5-4-15-12(18)13(16-9)19-7-10(20)17-11(21)8-19/h4-6,14H,2-3,7-8H2,1H3,(H,17,20,21)
InChIKeyRFLYMUUQGVRRJM-UHFFFAOYSA-N
XLogP0.01
TPSA91.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]piperazine-2,6-dione?
The IUPAC name of 4-[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]piperazine-2,6-dione (CID 80832762) is 4-[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]piperazine-2,6-dione.
What is the SMILES notation for 4-[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]piperazine-2,6-dione?
The canonical SMILES for 4-[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]piperazine-2,6-dione is CCCNc1cn2ccnc2c(N2CC(=O)NC(=O)C2)n1.
What is the InChIKey of 4-[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]piperazine-2,6-dione?
The InChIKey is RFLYMUUQGVRRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O2/c1-2-3-14-9-6-18-5-4-15-12(18)13(16-9)19-7-10(20)17-11(21)8-19/h4-6,14H,2-3,7-8H2,1H3,(H,17,20,21).
What are the key properties of 4-[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]piperazine-2,6-dione?
4-[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]piperazine-2,6-dione has a molecular weight of 288.31 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]piperazine-2,6-dione is sourced from PubChem (CID 80832762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).