2-(2-methylpropyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;hydrochloride

C10H20ClN3O — CID 86811793

IUPAC2-(2-methylpropyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;hydrochloride
SMILESCC(C)CN1CC2CNCCN2C1=O.Cl
InChIInChI=1S/C10H19N3O.ClH/c1-8(2)6-12-7-9-5-11-3-4-13(9)10(12)14;/h8-9,11H,3-7H2,1-2H3;1H
InChIKeyYOQLUYILCFMVJG-UHFFFAOYSA-N
MW233.74 g/mol
LogP0.77
Rot. Bonds2

About 2-(2-methylpropyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;hydrochloride

2-(2-methylpropyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;hydrochloride (PubChem CID 86811793) has the molecular formula C10H20ClN3O and a molecular weight of 233.74 g/mol. Its IUPAC name is 2-(2-methylpropyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;hydrochloride.

Molecular Properties

Compound Name2-(2-methylpropyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;hydrochloride
PubChem CID86811793
Molecular FormulaC10H20ClN3O
Molecular Weight233.74 g/mol
Exact Mass233.13
IUPAC Name2-(2-methylpropyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;hydrochloride
SMILESCC(C)CN1CC2CNCCN2C1=O.Cl
InChIInChI=1S/C10H19N3O.ClH/c1-8(2)6-12-7-9-5-11-3-4-13(9)10(12)14;/h8-9,11H,3-7H2,1-2H3;1H
InChIKeyYOQLUYILCFMVJG-UHFFFAOYSA-N
XLogP0.77
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;hydrochloride?
The IUPAC name of 2-(2-methylpropyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;hydrochloride (CID 86811793) is 2-(2-methylpropyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;hydrochloride.
What is the SMILES notation for 2-(2-methylpropyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;hydrochloride?
The canonical SMILES for 2-(2-methylpropyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;hydrochloride is CC(C)CN1CC2CNCCN2C1=O.Cl.
What is the InChIKey of 2-(2-methylpropyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;hydrochloride?
The InChIKey is YOQLUYILCFMVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O.ClH/c1-8(2)6-12-7-9-5-11-3-4-13(9)10(12)14;/h8-9,11H,3-7H2,1-2H3;1H.
What are the key properties of 2-(2-methylpropyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;hydrochloride?
2-(2-methylpropyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;hydrochloride has a molecular weight of 233.74 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;hydrochloride is sourced from PubChem (CID 86811793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).