3-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)piperidine-2,6-dione

C12H16N6O2 — CID 79300482

IUPAC3-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)piperidine-2,6-dione
SMILESCCc1nn(C)c2c1nc(N)n2C1CCC(=O)NC1=O
InChIInChI=1S/C12H16N6O2/c1-3-6-9-11(17(2)16-6)18(12(13)15-9)7-4-5-8(19)14-10(7)20/h7H,3-5H2,1-2H3,(H2,13,15)(H,14,19,20)
InChIKeyLDIDPZJZPOCKMH-UHFFFAOYSA-N
MW276.30 g/mol
LogP-0.11
Rot. Bonds2

About 3-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)piperidine-2,6-dione

3-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)piperidine-2,6-dione (PubChem CID 79300482) has the molecular formula C12H16N6O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 3-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)piperidine-2,6-dione
PubChem CID79300482
Molecular FormulaC12H16N6O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC Name3-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)piperidine-2,6-dione
SMILESCCc1nn(C)c2c1nc(N)n2C1CCC(=O)NC1=O
InChIInChI=1S/C12H16N6O2/c1-3-6-9-11(17(2)16-6)18(12(13)15-9)7-4-5-8(19)14-10(7)20/h7H,3-5H2,1-2H3,(H2,13,15)(H,14,19,20)
InChIKeyLDIDPZJZPOCKMH-UHFFFAOYSA-N
XLogP-0.11
TPSA107.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 5-0.11
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 3-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)piperidine-2,6-dione?
The IUPAC name of 3-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)piperidine-2,6-dione (CID 79300482) is 3-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)piperidine-2,6-dione is CCc1nn(C)c2c1nc(N)n2C1CCC(=O)NC1=O.
What is the InChIKey of 3-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)piperidine-2,6-dione?
The InChIKey is LDIDPZJZPOCKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2/c1-3-6-9-11(17(2)16-6)18(12(13)15-9)7-4-5-8(19)14-10(7)20/h7H,3-5H2,1-2H3,(H2,13,15)(H,14,19,20).
What are the key properties of 3-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)piperidine-2,6-dione?
3-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)piperidine-2,6-dione has a molecular weight of 276.30 g/mol, XLogP of -0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)piperidine-2,6-dione is sourced from PubChem (CID 79300482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).