7-[2-[(dimethylamino)methyl]benzoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C16H22N4O2 — CID 154754645

IUPAC7-[2-[(dimethylamino)methyl]benzoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCN(C)Cc1ccccc1C(=O)N1CCN2C(=O)NCC2C1
InChIInChI=1S/C16H22N4O2/c1-18(2)10-12-5-3-4-6-14(12)15(21)19-7-8-20-13(11-19)9-17-16(20)22/h3-6,13H,7-11H2,1-2H3,(H,17,22)
InChIKeyJLMHREXFGLINLK-UHFFFAOYSA-N
MW302.38 g/mol
LogP0.60
Rot. Bonds3

About 7-[2-[(dimethylamino)methyl]benzoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

7-[2-[(dimethylamino)methyl]benzoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 154754645) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 7-[2-[(dimethylamino)methyl]benzoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-[2-[(dimethylamino)methyl]benzoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID154754645
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name7-[2-[(dimethylamino)methyl]benzoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCN(C)Cc1ccccc1C(=O)N1CCN2C(=O)NCC2C1
InChIInChI=1S/C16H22N4O2/c1-18(2)10-12-5-3-4-6-14(12)15(21)19-7-8-20-13(11-19)9-17-16(20)22/h3-6,13H,7-11H2,1-2H3,(H,17,22)
InChIKeyJLMHREXFGLINLK-UHFFFAOYSA-N
XLogP0.60
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

7-[2-(ethylamino)benzoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79094873
7-(2,3-dihydroxybenzoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 114344503
7-(2-bromo-3-methylbenzoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 103855303
7-(2-bromo-5-methylbenzoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 81003001
7-(3-fluoropyridine-4-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 113252183
7-(1H-indazole-3-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79094890
7-[4-(bromomethyl)benzoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 102851816
methyl 2-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)methyl]benzoate
CID 82958535
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
7-(3-phenyl-2-sulfanylpropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 107031946
7-[2-(4-phenylphenyl)quinoline-4-carbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 166228767

Frequently Asked Questions

What is the IUPAC name of 7-[2-[(dimethylamino)methyl]benzoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-[2-[(dimethylamino)methyl]benzoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 154754645) is 7-[2-[(dimethylamino)methyl]benzoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-[2-[(dimethylamino)methyl]benzoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-[2-[(dimethylamino)methyl]benzoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is CN(C)Cc1ccccc1C(=O)N1CCN2C(=O)NCC2C1.
What is the InChIKey of 7-[2-[(dimethylamino)methyl]benzoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is JLMHREXFGLINLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-18(2)10-12-5-3-4-6-14(12)15(21)19-7-8-20-13(11-19)9-17-16(20)22/h3-6,13H,7-11H2,1-2H3,(H,17,22).
What are the key properties of 7-[2-[(dimethylamino)methyl]benzoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-[2-[(dimethylamino)methyl]benzoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 302.38 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[(dimethylamino)methyl]benzoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 154754645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).