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

C15H20N4O2 — CID 79094873

IUPAC7-[2-(ethylamino)benzoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCCNc1ccccc1C(=O)N1CCN2C(=O)NCC2C1
InChIInChI=1S/C15H20N4O2/c1-2-16-13-6-4-3-5-12(13)14(20)18-7-8-19-11(10-18)9-17-15(19)21/h3-6,11,16H,2,7-10H2,1H3,(H,17,21)
InChIKeyLADOGDRQHUXSJT-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.97
Rot. Bonds3

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

7-[2-(ethylamino)benzoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 79094873) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 7-[2-(ethylamino)benzoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-[2-(ethylamino)benzoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID79094873
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name7-[2-(ethylamino)benzoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCCNc1ccccc1C(=O)N1CCN2C(=O)NCC2C1
InChIInChI=1S/C15H20N4O2/c1-2-16-13-6-4-3-5-12(13)14(20)18-7-8-19-11(10-18)9-17-15(19)21/h3-6,11,16H,2,7-10H2,1H3,(H,17,21)
InChIKeyLADOGDRQHUXSJT-UHFFFAOYSA-N
XLogP0.97
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-[2-[(dimethylamino)methyl]benzoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 154754645
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
1-[1-[2-(butylamino)benzoyl]piperidin-3-yl]imidazolidin-2-one
CID 84594683
3,6-dihydro-2H-pyridin-1-yl-[2-(ethylamino)phenyl]methanone
CID 114411450
[2-(ethylamino)phenyl]-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 63620069
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
7-(2-bromo-2-methylpropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 114328869
(4-ethyl-3-methylpiperazin-1-yl)-[2-(propylamino)phenyl]methanone
CID 63605316

Frequently Asked Questions

What is the IUPAC name of 7-[2-(ethylamino)benzoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-[2-(ethylamino)benzoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 79094873) is 7-[2-(ethylamino)benzoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-[2-(ethylamino)benzoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-[2-(ethylamino)benzoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is CCNc1ccccc1C(=O)N1CCN2C(=O)NCC2C1.
What is the InChIKey of 7-[2-(ethylamino)benzoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is LADOGDRQHUXSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-2-16-13-6-4-3-5-12(13)14(20)18-7-8-19-11(10-18)9-17-15(19)21/h3-6,11,16H,2,7-10H2,1H3,(H,17,21).
What are the key properties of 7-[2-(ethylamino)benzoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-[2-(ethylamino)benzoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 288.35 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(ethylamino)benzoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 79094873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).