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

C15H21ClN4O — CID 79095701

IUPAC7-[2-amino-1-(4-chlorophenyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCC(N)C(c1ccc(Cl)cc1)N1CCN2C(=O)NCC2C1
InChIInChI=1S/C15H21ClN4O/c1-10(17)14(11-2-4-12(16)5-3-11)19-6-7-20-13(9-19)8-18-15(20)21/h2-5,10,13-14H,6-9,17H2,1H3,(H,18,21)
InChIKeyKXBHFBZCFDMRKK-UHFFFAOYSA-N
MW308.81 g/mol
LogP1.44
Rot. Bonds3

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

7-[2-amino-1-(4-chlorophenyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 79095701) has the molecular formula C15H21ClN4O and a molecular weight of 308.81 g/mol. Its IUPAC name is 7-[2-amino-1-(4-chlorophenyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-[2-amino-1-(4-chlorophenyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID79095701
Molecular FormulaC15H21ClN4O
Molecular Weight308.81 g/mol
Exact Mass308.14
IUPAC Name7-[2-amino-1-(4-chlorophenyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCC(N)C(c1ccc(Cl)cc1)N1CCN2C(=O)NCC2C1
InChIInChI=1S/C15H21ClN4O/c1-10(17)14(11-2-4-12(16)5-3-11)19-6-7-20-13(9-19)8-18-15(20)21/h2-5,10,13-14H,6-9,17H2,1H3,(H,18,21)
InChIKeyKXBHFBZCFDMRKK-UHFFFAOYSA-N
XLogP1.44
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 51.44
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-(4-chlorophenyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-[2-amino-1-(4-chlorophenyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 79095701) is 7-[2-amino-1-(4-chlorophenyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-[2-amino-1-(4-chlorophenyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-[2-amino-1-(4-chlorophenyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is CC(N)C(c1ccc(Cl)cc1)N1CCN2C(=O)NCC2C1.
What is the InChIKey of 7-[2-amino-1-(4-chlorophenyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is KXBHFBZCFDMRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O/c1-10(17)14(11-2-4-12(16)5-3-11)19-6-7-20-13(9-19)8-18-15(20)21/h2-5,10,13-14H,6-9,17H2,1H3,(H,18,21).
What are the key properties of 7-[2-amino-1-(4-chlorophenyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-[2-amino-1-(4-chlorophenyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 308.81 g/mol, XLogP of 1.44, 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-(4-chlorophenyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 79095701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).