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

C14H24N4O2 — CID 79096310

IUPAC7-(2-amino-6-methylcyclohexanecarbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCC1CCCC(N)C1C(=O)N1CCN2C(=O)NCC2C1
InChIInChI=1S/C14H24N4O2/c1-9-3-2-4-11(15)12(9)13(19)17-5-6-18-10(8-17)7-16-14(18)20/h9-12H,2-8,15H2,1H3,(H,16,20)
InChIKeyXJWGJHAZMMSAIJ-UHFFFAOYSA-N
MW280.37 g/mol
LogP-0.01
Rot. Bonds1

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

7-(2-amino-6-methylcyclohexanecarbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 79096310) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 7-(2-amino-6-methylcyclohexanecarbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-(2-amino-6-methylcyclohexanecarbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID79096310
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name7-(2-amino-6-methylcyclohexanecarbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCC1CCCC(N)C1C(=O)N1CCN2C(=O)NCC2C1
InChIInChI=1S/C14H24N4O2/c1-9-3-2-4-11(15)12(9)13(19)17-5-6-18-10(8-17)7-16-14(18)20/h9-12H,2-8,15H2,1H3,(H,16,20)
InChIKeyXJWGJHAZMMSAIJ-UHFFFAOYSA-N
XLogP-0.01
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

(2-amino-6-methylcyclohexyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 79170139
7-[(2S)-pyrrolidine-2-carbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091903
(2-amino-6-methylcyclohexyl)-(4-cyclopentylpiperazin-1-yl)methanone
CID 62782054
7-(2,2-difluoro-3-methylcyclopropanecarbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 136531573
N-cyclobutyl-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxamide
CID 113255355
7-(2-aminopropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091194
3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbohydrazide
CID 79094683
7-(2-sulfanylpropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 107031951
7-(2-amino-2-cyclopropylpropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091511
2-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 79096477
N-cyclopropyl-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxamide
CID 115682833
7-(2-bromo-2-methylpropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 114328869

Frequently Asked Questions

What is the IUPAC name of 7-(2-amino-6-methylcyclohexanecarbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-(2-amino-6-methylcyclohexanecarbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 79096310) is 7-(2-amino-6-methylcyclohexanecarbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-(2-amino-6-methylcyclohexanecarbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-(2-amino-6-methylcyclohexanecarbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is CC1CCCC(N)C1C(=O)N1CCN2C(=O)NCC2C1.
What is the InChIKey of 7-(2-amino-6-methylcyclohexanecarbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is XJWGJHAZMMSAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-9-3-2-4-11(15)12(9)13(19)17-5-6-18-10(8-17)7-16-14(18)20/h9-12H,2-8,15H2,1H3,(H,16,20).
What are the key properties of 7-(2-amino-6-methylcyclohexanecarbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-(2-amino-6-methylcyclohexanecarbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 280.37 g/mol, XLogP of -0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-amino-6-methylcyclohexanecarbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 79096310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).