(8aR)-7-[(2R)-2-(3-bromophenyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C15H20BrN3O — CID 97144768

IUPAC(8aR)-7-[(2R)-2-(3-bromophenyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESC[C@@H](CN1CCN2C(=O)NC[C@@H]2C1)c1cccc(Br)c1
InChIInChI=1S/C15H20BrN3O/c1-11(12-3-2-4-13(16)7-12)9-18-5-6-19-14(10-18)8-17-15(19)20/h2-4,7,11,14H,5-6,8-10H2,1H3,(H,17,20)/t11-,14+/m0/s1
InChIKeyASWVLZJIPDUPNZ-SMDDNHRTSA-N
MW338.25 g/mol
LogP2.26
Rot. Bonds3

About (8aR)-7-[(2R)-2-(3-bromophenyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

(8aR)-7-[(2R)-2-(3-bromophenyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 97144768) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is (8aR)-7-[(2R)-2-(3-bromophenyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name(8aR)-7-[(2R)-2-(3-bromophenyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID97144768
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC Name(8aR)-7-[(2R)-2-(3-bromophenyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESC[C@@H](CN1CCN2C(=O)NC[C@@H]2C1)c1cccc(Br)c1
InChIInChI=1S/C15H20BrN3O/c1-11(12-3-2-4-13(16)7-12)9-18-5-6-19-14(10-18)8-17-15(19)20/h2-4,7,11,14H,5-6,8-10H2,1H3,(H,17,20)/t11-,14+/m0/s1
InChIKeyASWVLZJIPDUPNZ-SMDDNHRTSA-N
XLogP2.26
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(8aS)-7-[(3S)-3-phenylbutyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 100685883
(8aR)-7-[(3S)-3-phenylbutyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 99840507
4-[2-(3-bromophenyl)propyl]morpholine
CID 12805117
7-[(5-bromo-2-methoxyphenyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091276
7-[(4-bromothiophen-2-yl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091597
7-[2-(2-aminophenyl)-2-hydroxyethyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79092169
(6R)-4-[2-(3-bromophenyl)propyl]-6-methylmorpholine-2-carboxamide
CID 84594008
7-[2-bromo-4-(1-hydroxyethyl)phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091966
7-(4-bromo-2-fluorophenyl)sulfonyl-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 116528707
2-(3-bromophenyl)propane-1-thiol
CID 115038075
7-[[3-(trifluoromethoxy)phenyl]methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 75515100
2-(aziridin-1-yl)-1-(3-bromophenyl)ethanol
CID 82130110

Frequently Asked Questions

What is the IUPAC name of (8aR)-7-[(2R)-2-(3-bromophenyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of (8aR)-7-[(2R)-2-(3-bromophenyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 97144768) is (8aR)-7-[(2R)-2-(3-bromophenyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for (8aR)-7-[(2R)-2-(3-bromophenyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for (8aR)-7-[(2R)-2-(3-bromophenyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is C[C@@H](CN1CCN2C(=O)NC[C@@H]2C1)c1cccc(Br)c1.
What is the InChIKey of (8aR)-7-[(2R)-2-(3-bromophenyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is ASWVLZJIPDUPNZ-SMDDNHRTSA-N. The full InChI is InChI=1S/C15H20BrN3O/c1-11(12-3-2-4-13(16)7-12)9-18-5-6-19-14(10-18)8-17-15(19)20/h2-4,7,11,14H,5-6,8-10H2,1H3,(H,17,20)/t11-,14+/m0/s1.
What are the key properties of (8aR)-7-[(2R)-2-(3-bromophenyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
(8aR)-7-[(2R)-2-(3-bromophenyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 338.25 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-7-[(2R)-2-(3-bromophenyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 97144768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).