5,7-dimethyl-1,7-dihydroimidazo[4,5-c]pyridine-4,6-dione

C8H9N3O2 — CID 11957702

IUPAC5,7-dimethyl-1,7-dihydroimidazo[4,5-c]pyridine-4,6-dione
SMILESCC1C(=O)N(C)C(=O)c2nc[nH]c21
InChIInChI=1S/C8H9N3O2/c1-4-5-6(10-3-9-5)8(13)11(2)7(4)12/h3-4H,1-2H3,(H,9,10)
InChIKeyAXGGQQVOCUWNNF-UHFFFAOYSA-N
MW179.18 g/mol
LogP0.13
Rot. Bonds

About 5,7-dimethyl-1,7-dihydroimidazo[4,5-c]pyridine-4,6-dione

5,7-dimethyl-1,7-dihydroimidazo[4,5-c]pyridine-4,6-dione (PubChem CID 11957702) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is 5,7-dimethyl-1,7-dihydroimidazo[4,5-c]pyridine-4,6-dione.

Molecular Properties

Compound Name5,7-dimethyl-1,7-dihydroimidazo[4,5-c]pyridine-4,6-dione
PubChem CID11957702
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name5,7-dimethyl-1,7-dihydroimidazo[4,5-c]pyridine-4,6-dione
SMILESCC1C(=O)N(C)C(=O)c2nc[nH]c21
InChIInChI=1S/C8H9N3O2/c1-4-5-6(10-3-9-5)8(13)11(2)7(4)12/h3-4H,1-2H3,(H,9,10)
InChIKeyAXGGQQVOCUWNNF-UHFFFAOYSA-N
XLogP0.13
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-1,7-dihydroimidazo[4,5-c]pyridine-4,6-dione?
The IUPAC name of 5,7-dimethyl-1,7-dihydroimidazo[4,5-c]pyridine-4,6-dione (CID 11957702) is 5,7-dimethyl-1,7-dihydroimidazo[4,5-c]pyridine-4,6-dione.
What is the SMILES notation for 5,7-dimethyl-1,7-dihydroimidazo[4,5-c]pyridine-4,6-dione?
The canonical SMILES for 5,7-dimethyl-1,7-dihydroimidazo[4,5-c]pyridine-4,6-dione is CC1C(=O)N(C)C(=O)c2nc[nH]c21.
What is the InChIKey of 5,7-dimethyl-1,7-dihydroimidazo[4,5-c]pyridine-4,6-dione?
The InChIKey is AXGGQQVOCUWNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c1-4-5-6(10-3-9-5)8(13)11(2)7(4)12/h3-4H,1-2H3,(H,9,10).
What are the key properties of 5,7-dimethyl-1,7-dihydroimidazo[4,5-c]pyridine-4,6-dione?
5,7-dimethyl-1,7-dihydroimidazo[4,5-c]pyridine-4,6-dione has a molecular weight of 179.18 g/mol, XLogP of 0.13, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-1,7-dihydroimidazo[4,5-c]pyridine-4,6-dione is sourced from PubChem (CID 11957702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).