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

C8H13N4OSe — CID 175679335

IUPAC—
SMILESCCCN1C(=O)NC2C1N=C([Se])N2C
InChIInChI=1S/C8H13N4OSe/c1-3-4-12-6-5(9-7(12)13)11(2)8(14)10-6/h5-6H,3-4H2,1-2H3,(H,9,13)
InChIKeyQNJXTAJOXFBLJR-UHFFFAOYSA-N
MW260.18 g/mol
LogP-0.46
Rot. Bonds2

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

4-methyl-1-propyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one (PubChem CID 175679335) has the molecular formula C8H13N4OSe and a molecular weight of 260.18 g/mol.

Molecular Properties

Compound Name4-methyl-1-propyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one
PubChem CID175679335
Molecular FormulaC8H13N4OSe
Molecular Weight260.18 g/mol
Exact Mass261.03
IUPAC Name—
SMILESCCCN1C(=O)NC2C1N=C([Se])N2C
InChIInChI=1S/C8H13N4OSe/c1-3-4-12-6-5(9-7(12)13)11(2)8(14)10-6/h5-6H,3-4H2,1-2H3,(H,9,13)
InChIKeyQNJXTAJOXFBLJR-UHFFFAOYSA-N
XLogP-0.46
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.18
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-ethyl-2-(ethylamino)-7,8-dihydroimidazo[1,2-a][1,3,5]triazin-4(6H)-one
CID 767485
5-Selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one
CID 164889639
1-Ethyl-4-methyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one
CID 175679333
4-Ethyl-1,3-dimethyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one
CID 175679336
1-(t-Butyl)-4-methyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one
CID 175679339
4-Methyl-1,3-dipropyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one
CID 175679346
4-Ethyl-1,3-dipropyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one
CID 175679350
CID 155814292
CID 155814292
CID 164889577
CID 164889577
2-(Diethylamino)-7,8-dihydroimidazo[1,2-a][1,3,5]triazin-4(6H)-one
CID 602101
4,6-Dimethyl-5-(propylamino)-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazol-4-ium-2-one
CID 137530292
(3aS,6aS)-1,3,4,6-tetramethyl-2-(methylamino)-3a,6a-dihydroimidazo[4,5-d]imidazol-3-ium-5-one
CID 139201804

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-propyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one?
The IUPAC name of 4-methyl-1-propyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one (CID 175679335) is not available.
What is the SMILES notation for 4-methyl-1-propyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one?
The canonical SMILES for 4-methyl-1-propyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one is CCCN1C(=O)NC2C1N=C([Se])N2C.
What is the InChIKey of 4-methyl-1-propyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one?
The InChIKey is QNJXTAJOXFBLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N4OSe/c1-3-4-12-6-5(9-7(12)13)11(2)8(14)10-6/h5-6H,3-4H2,1-2H3,(H,9,13).
What are the key properties of 4-methyl-1-propyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one?
4-methyl-1-propyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one has a molecular weight of 260.18 g/mol, XLogP of -0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-propyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one is sourced from PubChem (CID 175679335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).