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

C12H15BrN4O — CID 79092248

IUPAC7-(2-amino-4-bromophenyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESNc1cc(Br)ccc1N1CCN2C(=O)NCC2C1
InChIInChI=1S/C12H15BrN4O/c13-8-1-2-11(10(14)5-8)16-3-4-17-9(7-16)6-15-12(17)18/h1-2,5,9H,3-4,6-7,14H2,(H,15,18)
InChIKeyGTLQRYJKEQUTKO-UHFFFAOYSA-N
MW311.18 g/mol
LogP1.25
Rot. Bonds1

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

7-(2-amino-4-bromophenyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 79092248) has the molecular formula C12H15BrN4O and a molecular weight of 311.18 g/mol. Its IUPAC name is 7-(2-amino-4-bromophenyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-(2-amino-4-bromophenyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID79092248
Molecular FormulaC12H15BrN4O
Molecular Weight311.18 g/mol
Exact Mass310.04
IUPAC Name7-(2-amino-4-bromophenyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESNc1cc(Br)ccc1N1CCN2C(=O)NCC2C1
InChIInChI=1S/C12H15BrN4O/c13-8-1-2-11(10(14)5-8)16-3-4-17-9(7-16)6-15-12(17)18/h1-2,5,9H,3-4,6-7,14H2,(H,15,18)
InChIKeyGTLQRYJKEQUTKO-UHFFFAOYSA-N
XLogP1.25
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(2-amino-4-bromophenyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-(2-amino-4-bromophenyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 79092248) is 7-(2-amino-4-bromophenyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-(2-amino-4-bromophenyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-(2-amino-4-bromophenyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is Nc1cc(Br)ccc1N1CCN2C(=O)NCC2C1.
What is the InChIKey of 7-(2-amino-4-bromophenyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is GTLQRYJKEQUTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4O/c13-8-1-2-11(10(14)5-8)16-3-4-17-9(7-16)6-15-12(17)18/h1-2,5,9H,3-4,6-7,14H2,(H,15,18).
What are the key properties of 7-(2-amino-4-bromophenyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-(2-amino-4-bromophenyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 311.18 g/mol, XLogP of 1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-amino-4-bromophenyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 79092248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).