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

C12H24N4O — CID 79091862

IUPAC7-(1-amino-3,3-dimethylbutan-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCC(C)(C)C(CN)N1CCN2C(=O)NCC2C1
InChIInChI=1S/C12H24N4O/c1-12(2,3)10(6-13)15-4-5-16-9(8-15)7-14-11(16)17/h9-10H,4-8,13H2,1-3H3,(H,14,17)
InChIKeyYYVMBBIRNIGGFZ-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.07
Rot. Bonds2

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

7-(1-amino-3,3-dimethylbutan-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 79091862) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 7-(1-amino-3,3-dimethylbutan-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-(1-amino-3,3-dimethylbutan-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID79091862
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name7-(1-amino-3,3-dimethylbutan-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCC(C)(C)C(CN)N1CCN2C(=O)NCC2C1
InChIInChI=1S/C12H24N4O/c1-12(2,3)10(6-13)15-4-5-16-9(8-15)7-14-11(16)17/h9-10H,4-8,13H2,1-3H3,(H,14,17)
InChIKeyYYVMBBIRNIGGFZ-UHFFFAOYSA-N
XLogP0.07
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(1-amino-3,3-dimethylbutan-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-(1-amino-3,3-dimethylbutan-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 79091862) is 7-(1-amino-3,3-dimethylbutan-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-(1-amino-3,3-dimethylbutan-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-(1-amino-3,3-dimethylbutan-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is CC(C)(C)C(CN)N1CCN2C(=O)NCC2C1.
What is the InChIKey of 7-(1-amino-3,3-dimethylbutan-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is YYVMBBIRNIGGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-12(2,3)10(6-13)15-4-5-16-9(8-15)7-14-11(16)17/h9-10H,4-8,13H2,1-3H3,(H,14,17).
What are the key properties of 7-(1-amino-3,3-dimethylbutan-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-(1-amino-3,3-dimethylbutan-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 240.35 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-amino-3,3-dimethylbutan-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 79091862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).