3,5,7-trimethyl-7,7a-dihydro-3aH-imidazo[4,5-c]pyridine-4,6-dione

C9H13N3O2 — CID 59810600

IUPAC3,5,7-trimethyl-7,7a-dihydro-3aH-imidazo[4,5-c]pyridine-4,6-dione
SMILESCC1C(=O)N(C)C(=O)C2C1N=CN2C
InChIInChI=1S/C9H13N3O2/c1-5-6-7(11(2)4-10-6)9(14)12(3)8(5)13/h4-7H,1-3H3
InChIKeyWKCVNUAXFZVKBQ-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.67
Rot. Bonds

About 3,5,7-trimethyl-7,7a-dihydro-3aH-imidazo[4,5-c]pyridine-4,6-dione

3,5,7-trimethyl-7,7a-dihydro-3aH-imidazo[4,5-c]pyridine-4,6-dione (PubChem CID 59810600) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3,5,7-trimethyl-7,7a-dihydro-3aH-imidazo[4,5-c]pyridine-4,6-dione.

Molecular Properties

Compound Name3,5,7-trimethyl-7,7a-dihydro-3aH-imidazo[4,5-c]pyridine-4,6-dione
PubChem CID59810600
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name3,5,7-trimethyl-7,7a-dihydro-3aH-imidazo[4,5-c]pyridine-4,6-dione
SMILESCC1C(=O)N(C)C(=O)C2C1N=CN2C
InChIInChI=1S/C9H13N3O2/c1-5-6-7(11(2)4-10-6)9(14)12(3)8(5)13/h4-7H,1-3H3
InChIKeyWKCVNUAXFZVKBQ-UHFFFAOYSA-N
XLogP-0.67
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.67
H-Bond Donors ≤ 50
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 3,5,7-trimethyl-7,7a-dihydro-3aH-imidazo[4,5-c]pyridine-4,6-dione?
The IUPAC name of 3,5,7-trimethyl-7,7a-dihydro-3aH-imidazo[4,5-c]pyridine-4,6-dione (CID 59810600) is 3,5,7-trimethyl-7,7a-dihydro-3aH-imidazo[4,5-c]pyridine-4,6-dione.
What is the SMILES notation for 3,5,7-trimethyl-7,7a-dihydro-3aH-imidazo[4,5-c]pyridine-4,6-dione?
The canonical SMILES for 3,5,7-trimethyl-7,7a-dihydro-3aH-imidazo[4,5-c]pyridine-4,6-dione is CC1C(=O)N(C)C(=O)C2C1N=CN2C.
What is the InChIKey of 3,5,7-trimethyl-7,7a-dihydro-3aH-imidazo[4,5-c]pyridine-4,6-dione?
The InChIKey is WKCVNUAXFZVKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-5-6-7(11(2)4-10-6)9(14)12(3)8(5)13/h4-7H,1-3H3.
What are the key properties of 3,5,7-trimethyl-7,7a-dihydro-3aH-imidazo[4,5-c]pyridine-4,6-dione?
3,5,7-trimethyl-7,7a-dihydro-3aH-imidazo[4,5-c]pyridine-4,6-dione has a molecular weight of 195.22 g/mol, XLogP of -0.67, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,7-trimethyl-7,7a-dihydro-3aH-imidazo[4,5-c]pyridine-4,6-dione is sourced from PubChem (CID 59810600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).