1-(8a-benzyl-7-ethyl-3,5,6,8-tetrahydro-1H-imidazo[1,5-a]pyrazin-2-yl)ethanone

C17H25N3O — CID 163648502

IUPAC1-(8a-benzyl-7-ethyl-3,5,6,8-tetrahydro-1H-imidazo[1,5-a]pyrazin-2-yl)ethanone
SMILESCCN1CCN2CN(C(C)=O)CC2(Cc2ccccc2)C1
InChIInChI=1S/C17H25N3O/c1-3-18-9-10-20-14-19(15(2)21)13-17(20,12-18)11-16-7-5-4-6-8-16/h4-8H,3,9-14H2,1-2H3
InChIKeyIKGCZMQOOGULGT-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.42
Rot. Bonds3

About 1-(8a-benzyl-7-ethyl-3,5,6,8-tetrahydro-1H-imidazo[1,5-a]pyrazin-2-yl)ethanone

1-(8a-benzyl-7-ethyl-3,5,6,8-tetrahydro-1H-imidazo[1,5-a]pyrazin-2-yl)ethanone (PubChem CID 163648502) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-(8a-benzyl-7-ethyl-3,5,6,8-tetrahydro-1H-imidazo[1,5-a]pyrazin-2-yl)ethanone.

Molecular Properties

Compound Name1-(8a-benzyl-7-ethyl-3,5,6,8-tetrahydro-1H-imidazo[1,5-a]pyrazin-2-yl)ethanone
PubChem CID163648502
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-(8a-benzyl-7-ethyl-3,5,6,8-tetrahydro-1H-imidazo[1,5-a]pyrazin-2-yl)ethanone
SMILESCCN1CCN2CN(C(C)=O)CC2(Cc2ccccc2)C1
InChIInChI=1S/C17H25N3O/c1-3-18-9-10-20-14-19(15(2)21)13-17(20,12-18)11-16-7-5-4-6-8-16/h4-8H,3,9-14H2,1-2H3
InChIKeyIKGCZMQOOGULGT-UHFFFAOYSA-N
XLogP1.42
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(8a-benzyl-7-ethyl-3,5,6,8-tetrahydro-1H-imidazo[1,5-a]pyrazin-2-yl)ethanone with MolForge

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Related Compounds

(9aR)-9a-benzyl-3,4,6,7,8,9-hexahydro-1H-pyrido[1,2-a]pyrazine-2-carboxylic acid
CID 66936383
1-[3-(4-benzylpiperazine-1-carbonyl)-3-hydroxypiperidin-1-yl]ethanone
CID 128985646
1-(4-benzylpiperazin-1-yl)propan-2-one
CID 60649722
N-benzyl-N,4-diethylpiperazine-1-carboxamide
CID 108988476
N-benzyl-2-(4-ethylpiperazin-1-yl)-N-methyl-2-oxoacetamide
CID 108518814
7-acetyl-N-benzyl-2,7-diazaspiro[3.4]octane-2-carboxamide
CID 97472653
N-benzyl-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide
CID 108508950
2-(4-benzylpiperidin-1-yl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 108995596
8a-benzyl-2-ethyl-3,4,7,8-tetrahydro-1H-isoquinolin-6-one
CID 59214126
4-acetyl-N'-benzyl-N-ethylpiperazine-1-carboximidamide
CID 110962963
3-acetyl-3-benzyl-1-methylpiperidin-4-one
CID 21364075
1-[4-(3-benzylsulfanylpropyl)piperazin-1-yl]ethanone
CID 75434924

Frequently Asked Questions

What is the IUPAC name of 1-(8a-benzyl-7-ethyl-3,5,6,8-tetrahydro-1H-imidazo[1,5-a]pyrazin-2-yl)ethanone?
The IUPAC name of 1-(8a-benzyl-7-ethyl-3,5,6,8-tetrahydro-1H-imidazo[1,5-a]pyrazin-2-yl)ethanone (CID 163648502) is 1-(8a-benzyl-7-ethyl-3,5,6,8-tetrahydro-1H-imidazo[1,5-a]pyrazin-2-yl)ethanone.
What is the SMILES notation for 1-(8a-benzyl-7-ethyl-3,5,6,8-tetrahydro-1H-imidazo[1,5-a]pyrazin-2-yl)ethanone?
The canonical SMILES for 1-(8a-benzyl-7-ethyl-3,5,6,8-tetrahydro-1H-imidazo[1,5-a]pyrazin-2-yl)ethanone is CCN1CCN2CN(C(C)=O)CC2(Cc2ccccc2)C1.
What is the InChIKey of 1-(8a-benzyl-7-ethyl-3,5,6,8-tetrahydro-1H-imidazo[1,5-a]pyrazin-2-yl)ethanone?
The InChIKey is IKGCZMQOOGULGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-3-18-9-10-20-14-19(15(2)21)13-17(20,12-18)11-16-7-5-4-6-8-16/h4-8H,3,9-14H2,1-2H3.
What are the key properties of 1-(8a-benzyl-7-ethyl-3,5,6,8-tetrahydro-1H-imidazo[1,5-a]pyrazin-2-yl)ethanone?
1-(8a-benzyl-7-ethyl-3,5,6,8-tetrahydro-1H-imidazo[1,5-a]pyrazin-2-yl)ethanone has a molecular weight of 287.41 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8a-benzyl-7-ethyl-3,5,6,8-tetrahydro-1H-imidazo[1,5-a]pyrazin-2-yl)ethanone is sourced from PubChem (CID 163648502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).