1-ethyl-4-methyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one

C7H11N4OSe — CID 175679333

IUPAC—
SMILESCCN1C(=O)NC2C1N=C([Se])N2C
InChIInChI=1S/C7H11N4OSe/c1-3-11-5-4(8-6(11)12)10(2)7(13)9-5/h4-5H,3H2,1-2H3,(H,8,12)
InChIKeySSQCAKXOPOGIGG-UHFFFAOYSA-N
MW246.15 g/mol
LogP-0.85
Rot. Bonds1

About 1-ethyl-4-methyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one

1-ethyl-4-methyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one (PubChem CID 175679333) has the molecular formula C7H11N4OSe and a molecular weight of 246.15 g/mol.

Molecular Properties

Compound Name1-ethyl-4-methyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one
PubChem CID175679333
Molecular FormulaC7H11N4OSe
Molecular Weight246.15 g/mol
Exact Mass247.01
IUPAC Name—
SMILESCCN1C(=O)NC2C1N=C([Se])N2C
InChIInChI=1S/C7H11N4OSe/c1-3-11-5-4(8-6(11)12)10(2)7(13)9-5/h4-5H,3H2,1-2H3,(H,8,12)
InChIKeySSQCAKXOPOGIGG-UHFFFAOYSA-N
XLogP-0.85
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.15
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one?
The IUPAC name of 1-ethyl-4-methyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one (CID 175679333) is not available.
What is the SMILES notation for 1-ethyl-4-methyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one?
The canonical SMILES for 1-ethyl-4-methyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one is CCN1C(=O)NC2C1N=C([Se])N2C.
What is the InChIKey of 1-ethyl-4-methyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one?
The InChIKey is SSQCAKXOPOGIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N4OSe/c1-3-11-5-4(8-6(11)12)10(2)7(13)9-5/h4-5H,3H2,1-2H3,(H,8,12).
What are the key properties of 1-ethyl-4-methyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one?
1-ethyl-4-methyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one has a molecular weight of 246.15 g/mol, XLogP of -0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one is sourced from PubChem (CID 175679333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).