7-amino-7-methyl-3a,7a-dihydro-1H-imidazo[4,5-c]pyridine-4,6-dione

C7H10N4O2 — CID 89222833

IUPAC7-amino-7-methyl-3a,7a-dihydro-1H-imidazo[4,5-c]pyridine-4,6-dione
SMILESCC1(N)C(=O)NC(=O)C2N=CNC21
InChIInChI=1S/C7H10N4O2/c1-7(8)4-3(9-2-10-4)5(12)11-6(7)13/h2-4H,8H2,1H3,(H,9,10)(H,11,12,13)
InChIKeyQUBFYWUQPZEZGY-UHFFFAOYSA-N
MW182.18 g/mol
LogP-2.27
Rot. Bonds

About 7-amino-7-methyl-3a,7a-dihydro-1H-imidazo[4,5-c]pyridine-4,6-dione

7-amino-7-methyl-3a,7a-dihydro-1H-imidazo[4,5-c]pyridine-4,6-dione (PubChem CID 89222833) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is 7-amino-7-methyl-3a,7a-dihydro-1H-imidazo[4,5-c]pyridine-4,6-dione.

Molecular Properties

Compound Name7-amino-7-methyl-3a,7a-dihydro-1H-imidazo[4,5-c]pyridine-4,6-dione
PubChem CID89222833
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Name7-amino-7-methyl-3a,7a-dihydro-1H-imidazo[4,5-c]pyridine-4,6-dione
SMILESCC1(N)C(=O)NC(=O)C2N=CNC21
InChIInChI=1S/C7H10N4O2/c1-7(8)4-3(9-2-10-4)5(12)11-6(7)13/h2-4H,8H2,1H3,(H,9,10)(H,11,12,13)
InChIKeyQUBFYWUQPZEZGY-UHFFFAOYSA-N
XLogP-2.27
TPSA96.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-2.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-amino-7-methyl-3a,7a-dihydro-1H-imidazo[4,5-c]pyridine-4,6-dione?
The IUPAC name of 7-amino-7-methyl-3a,7a-dihydro-1H-imidazo[4,5-c]pyridine-4,6-dione (CID 89222833) is 7-amino-7-methyl-3a,7a-dihydro-1H-imidazo[4,5-c]pyridine-4,6-dione.
What is the SMILES notation for 7-amino-7-methyl-3a,7a-dihydro-1H-imidazo[4,5-c]pyridine-4,6-dione?
The canonical SMILES for 7-amino-7-methyl-3a,7a-dihydro-1H-imidazo[4,5-c]pyridine-4,6-dione is CC1(N)C(=O)NC(=O)C2N=CNC21.
What is the InChIKey of 7-amino-7-methyl-3a,7a-dihydro-1H-imidazo[4,5-c]pyridine-4,6-dione?
The InChIKey is QUBFYWUQPZEZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c1-7(8)4-3(9-2-10-4)5(12)11-6(7)13/h2-4H,8H2,1H3,(H,9,10)(H,11,12,13).
What are the key properties of 7-amino-7-methyl-3a,7a-dihydro-1H-imidazo[4,5-c]pyridine-4,6-dione?
7-amino-7-methyl-3a,7a-dihydro-1H-imidazo[4,5-c]pyridine-4,6-dione has a molecular weight of 182.18 g/mol, XLogP of -2.27, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-7-methyl-3a,7a-dihydro-1H-imidazo[4,5-c]pyridine-4,6-dione is sourced from PubChem (CID 89222833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).