7-benzyl-2-propan-2-yl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;hydrochloride

C16H22ClN3O2 — CID 24734121

IUPAC7-benzyl-2-propan-2-yl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;hydrochloride
SMILESCC(C)N1C(=O)C2CN(Cc3ccccc3)CCN2C1=O.Cl
InChIInChI=1S/C16H21N3O2.ClH/c1-12(2)19-15(20)14-11-17(8-9-18(14)16(19)21)10-13-6-4-3-5-7-13;/h3-7,12,14H,8-11H2,1-2H3;1H
InChIKeySYIPCDXLRAPKLG-UHFFFAOYSA-N
MW323.82 g/mol
LogP1.97
Rot. Bonds3

About 7-benzyl-2-propan-2-yl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;hydrochloride

7-benzyl-2-propan-2-yl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;hydrochloride (PubChem CID 24734121) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is 7-benzyl-2-propan-2-yl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;hydrochloride.

Molecular Properties

Compound Name7-benzyl-2-propan-2-yl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;hydrochloride
PubChem CID24734121
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC Name7-benzyl-2-propan-2-yl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;hydrochloride
SMILESCC(C)N1C(=O)C2CN(Cc3ccccc3)CCN2C1=O.Cl
InChIInChI=1S/C16H21N3O2.ClH/c1-12(2)19-15(20)14-11-17(8-9-18(14)16(19)21)10-13-6-4-3-5-7-13;/h3-7,12,14H,8-11H2,1-2H3;1H
InChIKeySYIPCDXLRAPKLG-UHFFFAOYSA-N
XLogP1.97
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-[(5-chlorothiophen-2-yl)methyl]-2-propan-2-yl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
CID 24734174
7-benzyl-2-(2,4-difluorophenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;hydrochloride
CID 24734110
(4'aS,5S)-3'-benzyl-1-propan-2-ylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione
CID 29055071
2-benzyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 10492024
6-benzyl-11-propan-2-yl-1,4,6,11-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4-diene-10,12-dione
CID 14403678
(8aS)-7-[(4-bromophenyl)methyl]-2-ethyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
CID 95974113
2-phenyl-8-[(4-propan-2-yloxyphenyl)methyl]-6,7,9,9a-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine-1,3-dione
CID 154579289
3-benzhydryl-1-benzylpiperidin-4-one;hydrochloride
CID 56668292
(8aR)-2-benzyl-7-[(4-methylsulfonylphenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 75368585
(3R)-3-benzhydryl-1-benzylpiperidin-4-one
CID 86328824
(7S,9aR)-7-benzyl-2-[(3,4-dimethylphenyl)methyl]-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
CID 56857340
3-(4-benzylpiperazin-1-yl)-4-(4-chlorophenyl)-1-propan-2-ylpyrrole-2,5-dione
CID 110570303

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-2-propan-2-yl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;hydrochloride?
The IUPAC name of 7-benzyl-2-propan-2-yl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;hydrochloride (CID 24734121) is 7-benzyl-2-propan-2-yl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;hydrochloride.
What is the SMILES notation for 7-benzyl-2-propan-2-yl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;hydrochloride?
The canonical SMILES for 7-benzyl-2-propan-2-yl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;hydrochloride is CC(C)N1C(=O)C2CN(Cc3ccccc3)CCN2C1=O.Cl.
What is the InChIKey of 7-benzyl-2-propan-2-yl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;hydrochloride?
The InChIKey is SYIPCDXLRAPKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2.ClH/c1-12(2)19-15(20)14-11-17(8-9-18(14)16(19)21)10-13-6-4-3-5-7-13;/h3-7,12,14H,8-11H2,1-2H3;1H.
What are the key properties of 7-benzyl-2-propan-2-yl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;hydrochloride?
7-benzyl-2-propan-2-yl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;hydrochloride has a molecular weight of 323.82 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-2-propan-2-yl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;hydrochloride is sourced from PubChem (CID 24734121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).