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

C15H22N4O — CID 79091706

IUPAC7-[2-amino-1-(2-methylphenyl)ethyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCc1ccccc1C(CN)N1CCN2C(=O)NCC2C1
InChIInChI=1S/C15H22N4O/c1-11-4-2-3-5-13(11)14(8-16)18-6-7-19-12(10-18)9-17-15(19)20/h2-5,12,14H,6-10,16H2,1H3,(H,17,20)
InChIKeyRWUOHPGQRIWHPY-UHFFFAOYSA-N
MW274.37 g/mol
LogP0.70
Rot. Bonds3

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

7-[2-amino-1-(2-methylphenyl)ethyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 79091706) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 7-[2-amino-1-(2-methylphenyl)ethyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-[2-amino-1-(2-methylphenyl)ethyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID79091706
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name7-[2-amino-1-(2-methylphenyl)ethyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCc1ccccc1C(CN)N1CCN2C(=O)NCC2C1
InChIInChI=1S/C15H22N4O/c1-11-4-2-3-5-13(11)14(8-16)18-6-7-19-12(10-18)9-17-15(19)20/h2-5,12,14H,6-10,16H2,1H3,(H,17,20)
InChIKeyRWUOHPGQRIWHPY-UHFFFAOYSA-N
XLogP0.70
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-[2-amino-1-(2-methylphenyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79095530
7-[2-amino-1-(4-methoxyphenyl)ethyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79095526
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(2-methylphenyl)ethanamine
CID 79940900
2-(3,4-dimethylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanamine
CID 79182595
7-(1-amino-3,3-dimethylbutan-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091862
3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)-3-phenylpropanenitrile
CID 79091874
(2S)-2-(2-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 51656542
7-(3-amino-1,1,1-trifluoropropan-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79092236
2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(2-methylphenyl)ethanamine
CID 43581361
7-[2-(2-aminophenyl)-2-hydroxyethyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79092169
2-(4,4-dimethylpiperidin-1-yl)-2-(2-methylphenyl)ethanamine
CID 62935471
7-(2-amino-1-pyridin-2-ylbutyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79095539

Frequently Asked Questions

What is the IUPAC name of 7-[2-amino-1-(2-methylphenyl)ethyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-[2-amino-1-(2-methylphenyl)ethyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 79091706) is 7-[2-amino-1-(2-methylphenyl)ethyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-[2-amino-1-(2-methylphenyl)ethyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-[2-amino-1-(2-methylphenyl)ethyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is Cc1ccccc1C(CN)N1CCN2C(=O)NCC2C1.
What is the InChIKey of 7-[2-amino-1-(2-methylphenyl)ethyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is RWUOHPGQRIWHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-11-4-2-3-5-13(11)14(8-16)18-6-7-19-12(10-18)9-17-15(19)20/h2-5,12,14H,6-10,16H2,1H3,(H,17,20).
What are the key properties of 7-[2-amino-1-(2-methylphenyl)ethyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-[2-amino-1-(2-methylphenyl)ethyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 274.37 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-amino-1-(2-methylphenyl)ethyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 79091706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).