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

C15H20N4O2 — CID 79096451

IUPAC7-(2-amino-2-phenylpropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCC(N)(C(=O)N1CCN2C(=O)NCC2C1)c1ccccc1
InChIInChI=1S/C15H20N4O2/c1-15(16,11-5-3-2-4-6-11)13(20)18-7-8-19-12(10-18)9-17-14(19)21/h2-6,12H,7-10,16H2,1H3,(H,17,21)
InChIKeyJECLQALPMLWDPC-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.10
Rot. Bonds2

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

7-(2-amino-2-phenylpropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 79096451) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 7-(2-amino-2-phenylpropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-(2-amino-2-phenylpropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID79096451
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name7-(2-amino-2-phenylpropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCC(N)(C(=O)N1CCN2C(=O)NCC2C1)c1ccccc1
InChIInChI=1S/C15H20N4O2/c1-15(16,11-5-3-2-4-6-11)13(20)18-7-8-19-12(10-18)9-17-14(19)21/h2-6,12H,7-10,16H2,1H3,(H,17,21)
InChIKeyJECLQALPMLWDPC-UHFFFAOYSA-N
XLogP0.10
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

7-(2-bromo-2-methylpropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 114328869
(8aR)-7-(4-methyl-4-phenylpentanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 97241517
7-(2-amino-2-cyclopropylpropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091511
7-(3-amino-2,2-dimethylpropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;hydrochloride
CID 119819846
1-(2-amino-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid
CID 63031396
2-amino-2-phenyl-1-(3-phenylpyrrolidin-1-yl)propan-1-one
CID 120588873
2-amino-1-(4-cyclopentylpiperazin-1-yl)-2-phenylpropan-1-one
CID 120595139
4-(2-amino-2-phenylpropanoyl)piperazin-2-one
CID 62487867
3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbohydrazide
CID 79094683
7-(3-phenyl-2-sulfanylpropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 107031946
2-amino-2-phenyl-1-(2-propan-2-ylthiomorpholin-4-yl)propan-1-one
CID 120594140
7-[2-(ethylamino)benzoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79094873

Frequently Asked Questions

What is the IUPAC name of 7-(2-amino-2-phenylpropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-(2-amino-2-phenylpropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 79096451) is 7-(2-amino-2-phenylpropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-(2-amino-2-phenylpropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-(2-amino-2-phenylpropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is CC(N)(C(=O)N1CCN2C(=O)NCC2C1)c1ccccc1.
What is the InChIKey of 7-(2-amino-2-phenylpropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is JECLQALPMLWDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-15(16,11-5-3-2-4-6-11)13(20)18-7-8-19-12(10-18)9-17-14(19)21/h2-6,12H,7-10,16H2,1H3,(H,17,21).
What are the key properties of 7-(2-amino-2-phenylpropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-(2-amino-2-phenylpropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 288.35 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-amino-2-phenylpropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 79096451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).