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

C14H16BrN3O2 — CID 103855303

IUPAC7-(2-bromo-3-methylbenzoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCc1cccc(C(=O)N2CCN3C(=O)NCC3C2)c1Br
InChIInChI=1S/C14H16BrN3O2/c1-9-3-2-4-11(12(9)15)13(19)17-5-6-18-10(8-17)7-16-14(18)20/h2-4,10H,5-8H2,1H3,(H,16,20)
InChIKeyYMLFIYZZRBLMBX-UHFFFAOYSA-N
MW338.21 g/mol
LogP1.61
Rot. Bonds1

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

7-(2-bromo-3-methylbenzoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 103855303) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is 7-(2-bromo-3-methylbenzoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-(2-bromo-3-methylbenzoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID103855303
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Name7-(2-bromo-3-methylbenzoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCc1cccc(C(=O)N2CCN3C(=O)NCC3C2)c1Br
InChIInChI=1S/C14H16BrN3O2/c1-9-3-2-4-11(12(9)15)13(19)17-5-6-18-10(8-17)7-16-14(18)20/h2-4,10H,5-8H2,1H3,(H,16,20)
InChIKeyYMLFIYZZRBLMBX-UHFFFAOYSA-N
XLogP1.61
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-(2-bromo-3-methylbenzoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one with MolForge

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Related Compounds

7-(2,3-dihydroxybenzoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 114344503
7-(2-bromo-5-methylbenzoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 81003001
aziridin-1-yl-(2-bromo-3-methylphenyl)methanone
CID 131089589
7-[2-[(dimethylamino)methyl]benzoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 154754645
7-[2-(ethylamino)benzoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79094873
(2-bromo-3-methylphenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 107983220
7-(3-hydroxypyridine-2-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79095243
7-(2-amino-5-fluorobenzoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79092312
(2-bromo-3-methylphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107300623
(2-bromo-3-methylphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 172647311
7-(3-fluoropyridine-4-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 113252183
azepan-1-yl-(2-bromo-3-methylphenyl)methanone
CID 103852629

Frequently Asked Questions

What is the IUPAC name of 7-(2-bromo-3-methylbenzoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-(2-bromo-3-methylbenzoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 103855303) is 7-(2-bromo-3-methylbenzoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-(2-bromo-3-methylbenzoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-(2-bromo-3-methylbenzoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is Cc1cccc(C(=O)N2CCN3C(=O)NCC3C2)c1Br.
What is the InChIKey of 7-(2-bromo-3-methylbenzoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is YMLFIYZZRBLMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-9-3-2-4-11(12(9)15)13(19)17-5-6-18-10(8-17)7-16-14(18)20/h2-4,10H,5-8H2,1H3,(H,16,20).
What are the key properties of 7-(2-bromo-3-methylbenzoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-(2-bromo-3-methylbenzoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 338.21 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-bromo-3-methylbenzoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 103855303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).