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

C11H21ClN4O2 — CID 119819846

IUPAC7-(3-amino-2,2-dimethylpropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;hydrochloride
SMILESCC(C)(CN)C(=O)N1CCN2C(=O)NCC2C1.Cl
InChIInChI=1S/C11H20N4O2.ClH/c1-11(2,7-12)9(16)14-3-4-15-8(6-14)5-13-10(15)17;/h8H,3-7,12H2,1-2H3,(H,13,17);1H
InChIKeyWPIJXGGVHWMKGV-UHFFFAOYSA-N
MW276.77 g/mol
LogP-0.37
Rot. Bonds2

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

7-(3-amino-2,2-dimethylpropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;hydrochloride (PubChem CID 119819846) has the molecular formula C11H21ClN4O2 and a molecular weight of 276.77 g/mol. Its IUPAC name is 7-(3-amino-2,2-dimethylpropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;hydrochloride.

Molecular Properties

Compound Name7-(3-amino-2,2-dimethylpropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;hydrochloride
PubChem CID119819846
Molecular FormulaC11H21ClN4O2
Molecular Weight276.77 g/mol
Exact Mass276.14
IUPAC Name7-(3-amino-2,2-dimethylpropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;hydrochloride
SMILESCC(C)(CN)C(=O)N1CCN2C(=O)NCC2C1.Cl
InChIInChI=1S/C11H20N4O2.ClH/c1-11(2,7-12)9(16)14-3-4-15-8(6-14)5-13-10(15)17;/h8H,3-7,12H2,1-2H3,(H,13,17);1H
InChIKeyWPIJXGGVHWMKGV-UHFFFAOYSA-N
XLogP-0.37
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(3-amino-2,2-dimethylpropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;hydrochloride?
The IUPAC name of 7-(3-amino-2,2-dimethylpropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;hydrochloride (CID 119819846) is 7-(3-amino-2,2-dimethylpropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;hydrochloride.
What is the SMILES notation for 7-(3-amino-2,2-dimethylpropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;hydrochloride?
The canonical SMILES for 7-(3-amino-2,2-dimethylpropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;hydrochloride is CC(C)(CN)C(=O)N1CCN2C(=O)NCC2C1.Cl.
What is the InChIKey of 7-(3-amino-2,2-dimethylpropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;hydrochloride?
The InChIKey is WPIJXGGVHWMKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2.ClH/c1-11(2,7-12)9(16)14-3-4-15-8(6-14)5-13-10(15)17;/h8H,3-7,12H2,1-2H3,(H,13,17);1H.
What are the key properties of 7-(3-amino-2,2-dimethylpropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;hydrochloride?
7-(3-amino-2,2-dimethylpropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;hydrochloride has a molecular weight of 276.77 g/mol, XLogP of -0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-amino-2,2-dimethylpropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;hydrochloride is sourced from PubChem (CID 119819846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).