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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Related Compounds

CID 131268
CID 131268
CID 12841606
CID 12841606
CID 72149765
CID 72149765
CID 75369810
CID 75369810
CID 86774798
CID 86774798
CID 126451759
CID 126451759
CID 164641079
CID 164641079
CID 69463684
CID 69463684
CID 69937170
CID 69937170
CID 89120801
CID 89120801
CID 90286153
CID 90286153
CID 90286314
CID 90286314

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).