2-[3-(oxolan-2-yl)propyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C13H23N3O2 — CID 79091376

IUPAC2-[3-(oxolan-2-yl)propyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESO=C1N(CCCC2CCCO2)CC2CNCCN12
InChIInChI=1S/C13H23N3O2/c17-13-15(6-1-3-12-4-2-8-18-12)10-11-9-14-5-7-16(11)13/h11-12,14H,1-10H2
InChIKeyVQPLJRIUQYCFRA-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.65
Rot. Bonds4

About 2-[3-(oxolan-2-yl)propyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

2-[3-(oxolan-2-yl)propyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 79091376) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-[3-(oxolan-2-yl)propyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name2-[3-(oxolan-2-yl)propyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID79091376
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-[3-(oxolan-2-yl)propyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESO=C1N(CCCC2CCCO2)CC2CNCCN12
InChIInChI=1S/C13H23N3O2/c17-13-15(6-1-3-12-4-2-8-18-12)10-11-9-14-5-7-16(11)13/h11-12,14H,1-10H2
InChIKeyVQPLJRIUQYCFRA-UHFFFAOYSA-N
XLogP0.65
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-(oxolan-2-yl)propyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one with MolForge

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Related Compounds

2-[2-(oxolan-2-yl)ethyl]-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,4-dione
CID 80731831
2-(3-hydroxypropyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79092085
1-amino-3-[3-(oxolan-2-yl)propyl]-1,3-diazinan-2-one
CID 104601266
2-[2-(2-hydroxyethoxy)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091374
2-(2-propylsulfonylethyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 106729433
(8aS)-2-(4-hydroxy-3,3-dimethylbutyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 137382689
3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione
CID 65170302
2-(2-methylpropyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;hydrochloride
CID 86811793
2-benzyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 54775508
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79095387
3,3-dimethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione
CID 65170352
2-[2-(2-methoxyphenoxy)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79095390

Frequently Asked Questions

What is the IUPAC name of 2-[3-(oxolan-2-yl)propyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 2-[3-(oxolan-2-yl)propyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 79091376) is 2-[3-(oxolan-2-yl)propyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 2-[3-(oxolan-2-yl)propyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 2-[3-(oxolan-2-yl)propyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is O=C1N(CCCC2CCCO2)CC2CNCCN12.
What is the InChIKey of 2-[3-(oxolan-2-yl)propyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is VQPLJRIUQYCFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c17-13-15(6-1-3-12-4-2-8-18-12)10-11-9-14-5-7-16(11)13/h11-12,14H,1-10H2.
What are the key properties of 2-[3-(oxolan-2-yl)propyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
2-[3-(oxolan-2-yl)propyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 253.35 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(oxolan-2-yl)propyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 79091376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).