1,4-dihydroimidazo[4,5-b]pyridine-5,7-dione;methane;yttrium

C7H9N3O2Y — CID 160543253

IUPAC1,4-dihydroimidazo[4,5-b]pyridine-5,7-dione;methane;yttrium
SMILESC.O=C1CC(=O)c2[nH]cnc2N1.[Y]
InChIInChI=1S/C6H5N3O2.CH4.Y/c10-3-1-4(11)9-6-5(3)7-2-8-6;;/h2H,1H2,(H,7,8)(H,9,11);1H4;
InChIKeyQXBPNPMXWUYXCY-UHFFFAOYSA-N
MW256.07 g/mol
LogP0.57
Rot. Bonds

About 1,4-dihydroimidazo[4,5-b]pyridine-5,7-dione;methane;yttrium

1,4-dihydroimidazo[4,5-b]pyridine-5,7-dione;methane;yttrium (PubChem CID 160543253) has the molecular formula C7H9N3O2Y and a molecular weight of 256.07 g/mol. Its IUPAC name is 1,4-dihydroimidazo[4,5-b]pyridine-5,7-dione;methane;yttrium.

Molecular Properties

Compound Name1,4-dihydroimidazo[4,5-b]pyridine-5,7-dione;methane;yttrium
PubChem CID160543253
Molecular FormulaC7H9N3O2Y
Molecular Weight256.07 g/mol
Exact Mass255.98
IUPAC Name1,4-dihydroimidazo[4,5-b]pyridine-5,7-dione;methane;yttrium
SMILESC.O=C1CC(=O)c2[nH]cnc2N1.[Y]
InChIInChI=1S/C6H5N3O2.CH4.Y/c10-3-1-4(11)9-6-5(3)7-2-8-6;;/h2H,1H2,(H,7,8)(H,9,11);1H4;
InChIKeyQXBPNPMXWUYXCY-UHFFFAOYSA-N
XLogP0.57
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.07
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4-dihydroimidazo[4,5-b]pyridine-5,7-dione;methane;yttrium?
The IUPAC name of 1,4-dihydroimidazo[4,5-b]pyridine-5,7-dione;methane;yttrium (CID 160543253) is 1,4-dihydroimidazo[4,5-b]pyridine-5,7-dione;methane;yttrium.
What is the SMILES notation for 1,4-dihydroimidazo[4,5-b]pyridine-5,7-dione;methane;yttrium?
The canonical SMILES for 1,4-dihydroimidazo[4,5-b]pyridine-5,7-dione;methane;yttrium is C.O=C1CC(=O)c2[nH]cnc2N1.[Y].
What is the InChIKey of 1,4-dihydroimidazo[4,5-b]pyridine-5,7-dione;methane;yttrium?
The InChIKey is QXBPNPMXWUYXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O2.CH4.Y/c10-3-1-4(11)9-6-5(3)7-2-8-6;;/h2H,1H2,(H,7,8)(H,9,11);1H4;.
What are the key properties of 1,4-dihydroimidazo[4,5-b]pyridine-5,7-dione;methane;yttrium?
1,4-dihydroimidazo[4,5-b]pyridine-5,7-dione;methane;yttrium has a molecular weight of 256.07 g/mol, XLogP of 0.57, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydroimidazo[4,5-b]pyridine-5,7-dione;methane;yttrium is sourced from PubChem (CID 160543253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).