N-(2-methylbutan-2-yl)-2-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)acetamide

C13H24N4O2 — CID 79092225

IUPACN-(2-methylbutan-2-yl)-2-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CN1CC2CNCCN2C1=O
InChIInChI=1S/C13H24N4O2/c1-4-13(2,3)15-11(18)9-16-8-10-7-14-5-6-17(10)12(16)19/h10,14H,4-9H2,1-3H3,(H,15,18)
InChIKeyXIMDFXKAZWGHLK-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.00
Rot. Bonds4

About N-(2-methylbutan-2-yl)-2-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)acetamide

N-(2-methylbutan-2-yl)-2-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)acetamide (PubChem CID 79092225) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-2-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-2-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)acetamide
PubChem CID79092225
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC NameN-(2-methylbutan-2-yl)-2-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CN1CC2CNCCN2C1=O
InChIInChI=1S/C13H24N4O2/c1-4-13(2,3)15-11(18)9-16-8-10-7-14-5-6-17(10)12(16)19/h10,14H,4-9H2,1-3H3,(H,15,18)
InChIKeyXIMDFXKAZWGHLK-UHFFFAOYSA-N
XLogP0.00
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-2-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)acetamide?
The IUPAC name of N-(2-methylbutan-2-yl)-2-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)acetamide (CID 79092225) is N-(2-methylbutan-2-yl)-2-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)acetamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-2-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)acetamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-2-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)acetamide is CCC(C)(C)NC(=O)CN1CC2CNCCN2C1=O.
What is the InChIKey of N-(2-methylbutan-2-yl)-2-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)acetamide?
The InChIKey is XIMDFXKAZWGHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-4-13(2,3)15-11(18)9-16-8-10-7-14-5-6-17(10)12(16)19/h10,14H,4-9H2,1-3H3,(H,15,18).
What are the key properties of N-(2-methylbutan-2-yl)-2-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)acetamide?
N-(2-methylbutan-2-yl)-2-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)acetamide has a molecular weight of 268.36 g/mol, XLogP of 0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-2-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)acetamide is sourced from PubChem (CID 79092225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).