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

C16H24N4O — CID 79095530

IUPAC7-[2-amino-1-(2-methylphenyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCc1ccccc1C(C(C)N)N1CCN2C(=O)NCC2C1
InChIInChI=1S/C16H24N4O/c1-11-5-3-4-6-14(11)15(12(2)17)19-7-8-20-13(10-19)9-18-16(20)21/h3-6,12-13,15H,7-10,17H2,1-2H3,(H,18,21)
InChIKeyVKDUCBVCRMCMJE-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.09
Rot. Bonds3

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

7-[2-amino-1-(2-methylphenyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 79095530) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 7-[2-amino-1-(2-methylphenyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-[2-amino-1-(2-methylphenyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID79095530
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name7-[2-amino-1-(2-methylphenyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCc1ccccc1C(C(C)N)N1CCN2C(=O)NCC2C1
InChIInChI=1S/C16H24N4O/c1-11-5-3-4-6-14(11)15(12(2)17)19-7-8-20-13(10-19)9-18-16(20)21/h3-6,12-13,15H,7-10,17H2,1-2H3,(H,18,21)
InChIKeyVKDUCBVCRMCMJE-UHFFFAOYSA-N
XLogP1.09
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[2-amino-1-(2-methylphenyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-[2-amino-1-(2-methylphenyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 79095530) is 7-[2-amino-1-(2-methylphenyl)propyl]-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)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-[2-amino-1-(2-methylphenyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is Cc1ccccc1C(C(C)N)N1CCN2C(=O)NCC2C1.
What is the InChIKey of 7-[2-amino-1-(2-methylphenyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is VKDUCBVCRMCMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-11-5-3-4-6-14(11)15(12(2)17)19-7-8-20-13(10-19)9-18-16(20)21/h3-6,12-13,15H,7-10,17H2,1-2H3,(H,18,21).
What are the key properties of 7-[2-amino-1-(2-methylphenyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-[2-amino-1-(2-methylphenyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 288.39 g/mol, XLogP of 1.09, 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)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 79095530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).