7-[2-amino-1-(4-methoxyphenyl)ethyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C15H22N4O2 — CID 79095526

IUPAC7-[2-amino-1-(4-methoxyphenyl)ethyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCOc1ccc(C(CN)N2CCN3C(=O)NCC3C2)cc1
InChIInChI=1S/C15H22N4O2/c1-21-13-4-2-11(3-5-13)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)
InChIKeyAPJGIENGHNRPLL-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.40
Rot. Bonds4

About 7-[2-amino-1-(4-methoxyphenyl)ethyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

7-[2-amino-1-(4-methoxyphenyl)ethyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 79095526) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 7-[2-amino-1-(4-methoxyphenyl)ethyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-[2-amino-1-(4-methoxyphenyl)ethyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID79095526
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name7-[2-amino-1-(4-methoxyphenyl)ethyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCOc1ccc(C(CN)N2CCN3C(=O)NCC3C2)cc1
InChIInChI=1S/C15H22N4O2/c1-21-13-4-2-11(3-5-13)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)
InChIKeyAPJGIENGHNRPLL-UHFFFAOYSA-N
XLogP0.40
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-[2-amino-1-(2-methylphenyl)ethyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091706
7-(1-amino-3,3-dimethylbutan-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091862
1-[2-amino-1-(4-methoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 44890916
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-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanamine
CID 16642461
3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)-3-phenylpropanenitrile
CID 79091874
7-[2-amino-1-(4-chlorophenyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79095701
2-(3-ethylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanamine
CID 43584268
7-[1-(4-hydroxy-3-methoxyphenyl)ethyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 82966022
2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-methoxyphenyl)ethanamine
CID 43581263
(8aS)-7-[(2S)-2-(4-methoxyphenoxy)propanoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 95974155
(2S)-2-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethanamine
CID 9161175

Frequently Asked Questions

What is the IUPAC name of 7-[2-amino-1-(4-methoxyphenyl)ethyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-[2-amino-1-(4-methoxyphenyl)ethyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 79095526) is 7-[2-amino-1-(4-methoxyphenyl)ethyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-[2-amino-1-(4-methoxyphenyl)ethyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-[2-amino-1-(4-methoxyphenyl)ethyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is COc1ccc(C(CN)N2CCN3C(=O)NCC3C2)cc1.
What is the InChIKey of 7-[2-amino-1-(4-methoxyphenyl)ethyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is APJGIENGHNRPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-21-13-4-2-11(3-5-13)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-(4-methoxyphenyl)ethyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-[2-amino-1-(4-methoxyphenyl)ethyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 290.37 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-amino-1-(4-methoxyphenyl)ethyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 79095526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).