(8aS)-7-[(4-bromophenyl)methyl]-2-ethyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione

C15H18BrN3O2 — CID 95974113

IUPAC(8aS)-7-[(4-bromophenyl)methyl]-2-ethyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
SMILESCCN1C(=O)[C@@H]2CN(Cc3ccc(Br)cc3)CCN2C1=O
InChIInChI=1S/C15H18BrN3O2/c1-2-18-14(20)13-10-17(7-8-19(13)15(18)21)9-11-3-5-12(16)6-4-11/h3-6,13H,2,7-10H2,1H3/t13-/m0/s1
InChIKeyGHPBVVDJXPJBPH-ZDUSSCGKSA-N
MW352.23 g/mol
LogP1.92
Rot. Bonds3

About (8aS)-7-[(4-bromophenyl)methyl]-2-ethyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione

(8aS)-7-[(4-bromophenyl)methyl]-2-ethyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione (PubChem CID 95974113) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is (8aS)-7-[(4-bromophenyl)methyl]-2-ethyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione.

Molecular Properties

Compound Name(8aS)-7-[(4-bromophenyl)methyl]-2-ethyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
PubChem CID95974113
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Name(8aS)-7-[(4-bromophenyl)methyl]-2-ethyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
SMILESCCN1C(=O)[C@@H]2CN(Cc3ccc(Br)cc3)CCN2C1=O
InChIInChI=1S/C15H18BrN3O2/c1-2-18-14(20)13-10-17(7-8-19(13)15(18)21)9-11-3-5-12(16)6-4-11/h3-6,13H,2,7-10H2,1H3/t13-/m0/s1
InChIKeyGHPBVVDJXPJBPH-ZDUSSCGKSA-N
XLogP1.92
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze (8aS)-7-[(4-bromophenyl)methyl]-2-ethyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-benzyl-2-propan-2-yl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;hydrochloride
CID 24734121
1,4,7,10-tetrakis[(4-bromophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 71732809
2-[(4-bromophenyl)methyl]-8-[(2-ethyl-1-benzothiophen-3-yl)methyl]-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione
CID 166590397
(3R,9R)-11-[(4-methoxyphenyl)methyl]-1,7,11-triazatricyclo[7.4.0.03,7]tridecane-2,8-dione
CID 126462027
7-(8-bromoquinolin-4-yl)-2-ethyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
CID 139010511
1-[(4-bromophenyl)methyl]-4-methylpiperazine
CID 22197612
4-[(4-bromophenyl)methyl]piperazine-1,2-dicarboxylic acid
CID 69298568
(7S,9aR)-7-(hydroxymethyl)-2-[(4-methoxyphenyl)methyl]-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
CID 56853006
(3S)-1-[(4-bromophenyl)methyl]pyrrolidin-3-ol
CID 59424626
1-[(4-bromophenyl)methyl]-4-ethylpiperidine
CID 63456491
(3R)-1-[(4-bromophenyl)methyl]pyrrolidin-3-amine
CID 53256327
1-[(4-bromophenyl)methyl]-4-ethylpiperazine-2,3-dione
CID 54970796

Frequently Asked Questions

What is the IUPAC name of (8aS)-7-[(4-bromophenyl)methyl]-2-ethyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
The IUPAC name of (8aS)-7-[(4-bromophenyl)methyl]-2-ethyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione (CID 95974113) is (8aS)-7-[(4-bromophenyl)methyl]-2-ethyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione.
What is the SMILES notation for (8aS)-7-[(4-bromophenyl)methyl]-2-ethyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
The canonical SMILES for (8aS)-7-[(4-bromophenyl)methyl]-2-ethyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione is CCN1C(=O)[C@@H]2CN(Cc3ccc(Br)cc3)CCN2C1=O.
What is the InChIKey of (8aS)-7-[(4-bromophenyl)methyl]-2-ethyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
The InChIKey is GHPBVVDJXPJBPH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c1-2-18-14(20)13-10-17(7-8-19(13)15(18)21)9-11-3-5-12(16)6-4-11/h3-6,13H,2,7-10H2,1H3/t13-/m0/s1.
What are the key properties of (8aS)-7-[(4-bromophenyl)methyl]-2-ethyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
(8aS)-7-[(4-bromophenyl)methyl]-2-ethyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione has a molecular weight of 352.23 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-7-[(4-bromophenyl)methyl]-2-ethyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione is sourced from PubChem (CID 95974113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).