5,7-dimethyl-1,3a,7,7a-tetrahydroimidazo[4,5-c]pyridine-4,6-dione

C8H11N3O2 — CID 11171339

IUPAC5,7-dimethyl-1,3a,7,7a-tetrahydroimidazo[4,5-c]pyridine-4,6-dione
SMILESCC1C(=O)N(C)C(=O)C2N=CNC12
InChIInChI=1S/C8H11N3O2/c1-4-5-6(10-3-9-5)8(13)11(2)7(4)12/h3-6H,1-2H3,(H,9,10)
InChIKeyZWDZFZSBZCXERU-UHFFFAOYSA-N
MW181.19 g/mol
LogP-1.01
Rot. Bonds

About 5,7-dimethyl-1,3a,7,7a-tetrahydroimidazo[4,5-c]pyridine-4,6-dione

5,7-dimethyl-1,3a,7,7a-tetrahydroimidazo[4,5-c]pyridine-4,6-dione (PubChem CID 11171339) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 5,7-dimethyl-1,3a,7,7a-tetrahydroimidazo[4,5-c]pyridine-4,6-dione.

Molecular Properties

Compound Name5,7-dimethyl-1,3a,7,7a-tetrahydroimidazo[4,5-c]pyridine-4,6-dione
PubChem CID11171339
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name5,7-dimethyl-1,3a,7,7a-tetrahydroimidazo[4,5-c]pyridine-4,6-dione
SMILESCC1C(=O)N(C)C(=O)C2N=CNC12
InChIInChI=1S/C8H11N3O2/c1-4-5-6(10-3-9-5)8(13)11(2)7(4)12/h3-6H,1-2H3,(H,9,10)
InChIKeyZWDZFZSBZCXERU-UHFFFAOYSA-N
XLogP-1.01
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-1.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-1,3a,7,7a-tetrahydroimidazo[4,5-c]pyridine-4,6-dione?
The IUPAC name of 5,7-dimethyl-1,3a,7,7a-tetrahydroimidazo[4,5-c]pyridine-4,6-dione (CID 11171339) is 5,7-dimethyl-1,3a,7,7a-tetrahydroimidazo[4,5-c]pyridine-4,6-dione.
What is the SMILES notation for 5,7-dimethyl-1,3a,7,7a-tetrahydroimidazo[4,5-c]pyridine-4,6-dione?
The canonical SMILES for 5,7-dimethyl-1,3a,7,7a-tetrahydroimidazo[4,5-c]pyridine-4,6-dione is CC1C(=O)N(C)C(=O)C2N=CNC12.
What is the InChIKey of 5,7-dimethyl-1,3a,7,7a-tetrahydroimidazo[4,5-c]pyridine-4,6-dione?
The InChIKey is ZWDZFZSBZCXERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-4-5-6(10-3-9-5)8(13)11(2)7(4)12/h3-6H,1-2H3,(H,9,10).
What are the key properties of 5,7-dimethyl-1,3a,7,7a-tetrahydroimidazo[4,5-c]pyridine-4,6-dione?
5,7-dimethyl-1,3a,7,7a-tetrahydroimidazo[4,5-c]pyridine-4,6-dione has a molecular weight of 181.19 g/mol, XLogP of -1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-1,3a,7,7a-tetrahydroimidazo[4,5-c]pyridine-4,6-dione is sourced from PubChem (CID 11171339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).