(9aR)-8-methyl-2-[2-(1-methylimidazol-2-yl)benzoyl]-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one

C19H23N5O2 — CID 95128049

IUPAC(9aR)-8-methyl-2-[2-(1-methylimidazol-2-yl)benzoyl]-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
SMILESCN1CCN2CCN(C(=O)c3ccccc3-c3nccn3C)C[C@@H]2C1=O
InChIInChI=1S/C19H23N5O2/c1-21-8-7-20-17(21)14-5-3-4-6-15(14)18(25)24-12-11-23-10-9-22(2)19(26)16(23)13-24/h3-8,16H,9-13H2,1-2H3/t16-/m1/s1
InChIKeyOVFHEKLFTKTSNJ-MRXNPFEDSA-N
MW353.43 g/mol
LogP0.69
Rot. Bonds2

About (9aR)-8-methyl-2-[2-(1-methylimidazol-2-yl)benzoyl]-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one

(9aR)-8-methyl-2-[2-(1-methylimidazol-2-yl)benzoyl]-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one (PubChem CID 95128049) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is (9aR)-8-methyl-2-[2-(1-methylimidazol-2-yl)benzoyl]-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one.

Molecular Properties

Compound Name(9aR)-8-methyl-2-[2-(1-methylimidazol-2-yl)benzoyl]-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
PubChem CID95128049
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name(9aR)-8-methyl-2-[2-(1-methylimidazol-2-yl)benzoyl]-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
SMILESCN1CCN2CCN(C(=O)c3ccccc3-c3nccn3C)C[C@@H]2C1=O
InChIInChI=1S/C19H23N5O2/c1-21-8-7-20-17(21)14-5-3-4-6-15(14)18(25)24-12-11-23-10-9-22(2)19(26)16(23)13-24/h3-8,16H,9-13H2,1-2H3/t16-/m1/s1
InChIKeyOVFHEKLFTKTSNJ-MRXNPFEDSA-N
XLogP0.69
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (9aR)-8-methyl-2-[2-(1-methylimidazol-2-yl)benzoyl]-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one with MolForge

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Related Compounds

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CID 50974829
8-methyl-2-(3-pyridin-2-ylpropanoyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 50961999
(9aR)-2-(2-anilinopyrimidine-5-carbonyl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 95132496
8-methyl-2-(1,3-thiazole-4-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 50979351
8-methyl-2-[5-(tetrazol-1-yl)-1H-pyrazole-4-carbonyl]-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 50985022
(9aS)-8-methyl-2-(4-oxo-3H-quinazoline-2-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 136697837
(9aR)-8-methyl-2-(1,2,5-oxadiazole-3-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 95119889
8-methyl-2-(1,2,5-oxadiazole-3-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 50948995
1-[(9aS)-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-2-(2,3-dihydroindol-1-yl)ethane-1,2-dione
CID 95205233
(9aR)-8-methyl-2-(3-phenoxypropanoyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 95123237
8-methyl-2-(4-oxo-1H-quinoline-2-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 50974576
(9aR)-8-methyl-2-[3-(1,2,4-triazol-4-yl)benzoyl]-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 95124209

Frequently Asked Questions

What is the IUPAC name of (9aR)-8-methyl-2-[2-(1-methylimidazol-2-yl)benzoyl]-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
The IUPAC name of (9aR)-8-methyl-2-[2-(1-methylimidazol-2-yl)benzoyl]-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one (CID 95128049) is (9aR)-8-methyl-2-[2-(1-methylimidazol-2-yl)benzoyl]-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one.
What is the SMILES notation for (9aR)-8-methyl-2-[2-(1-methylimidazol-2-yl)benzoyl]-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
The canonical SMILES for (9aR)-8-methyl-2-[2-(1-methylimidazol-2-yl)benzoyl]-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one is CN1CCN2CCN(C(=O)c3ccccc3-c3nccn3C)C[C@@H]2C1=O.
What is the InChIKey of (9aR)-8-methyl-2-[2-(1-methylimidazol-2-yl)benzoyl]-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
The InChIKey is OVFHEKLFTKTSNJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-21-8-7-20-17(21)14-5-3-4-6-15(14)18(25)24-12-11-23-10-9-22(2)19(26)16(23)13-24/h3-8,16H,9-13H2,1-2H3/t16-/m1/s1.
What are the key properties of (9aR)-8-methyl-2-[2-(1-methylimidazol-2-yl)benzoyl]-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
(9aR)-8-methyl-2-[2-(1-methylimidazol-2-yl)benzoyl]-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one has a molecular weight of 353.43 g/mol, XLogP of 0.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (9aR)-8-methyl-2-[2-(1-methylimidazol-2-yl)benzoyl]-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one is sourced from PubChem (CID 95128049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).