(8aR)-7-[(3S)-3-phenylbutyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C16H23N3O — CID 99840507

IUPAC(8aR)-7-[(3S)-3-phenylbutyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESC[C@@H](CCN1CCN2C(=O)NC[C@@H]2C1)c1ccccc1
InChIInChI=1S/C16H23N3O/c1-13(14-5-3-2-4-6-14)7-8-18-9-10-19-15(12-18)11-17-16(19)20/h2-6,13,15H,7-12H2,1H3,(H,17,20)/t13-,15+/m0/s1
InChIKeyMEMUXWHMRHTWFB-DZGCQCFKSA-N
MW273.38 g/mol
LogP1.89
Rot. Bonds4

About (8aR)-7-[(3S)-3-phenylbutyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

(8aR)-7-[(3S)-3-phenylbutyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 99840507) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is (8aR)-7-[(3S)-3-phenylbutyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name(8aR)-7-[(3S)-3-phenylbutyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID99840507
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name(8aR)-7-[(3S)-3-phenylbutyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESC[C@@H](CCN1CCN2C(=O)NC[C@@H]2C1)c1ccccc1
InChIInChI=1S/C16H23N3O/c1-13(14-5-3-2-4-6-14)7-8-18-9-10-19-15(12-18)11-17-16(19)20/h2-6,13,15H,7-12H2,1H3,(H,17,20)/t13-,15+/m0/s1
InChIKeyMEMUXWHMRHTWFB-DZGCQCFKSA-N
XLogP1.89
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (8aR)-7-[(3S)-3-phenylbutyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(8aS)-7-[(3S)-3-phenylbutyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 100685883
(8aR)-7-[(2R)-2-(3-bromophenyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 97144768
4-methyl-1-[(3S)-3-phenylbutyl]-1,4-diazepan-5-one
CID 42464655
2-(3-phenylbutyl)-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 79917318
3-methyl-1-(3-phenylbutyl)-1,5-diazocane
CID 62987533
3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)-3-phenylpropanenitrile
CID 79091874
1-benzyl-4-[(3S)-3-phenylbutyl]piperazine
CID 1376475
1-phenyl-4-[(3R)-3-phenylbutyl]piperazine
CID 7047121
7-[2-(2-aminophenyl)-2-hydroxyethyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79092169
7-[[3-(aminomethyl)-2-fluorophenyl]methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 107113507
1-[(3R)-3-phenylbutyl]azetidine-3-carboxylic acid
CID 129371947
1-[(3S)-3-phenylbutyl]azetidine-3-carboxylic acid
CID 129371946

Frequently Asked Questions

What is the IUPAC name of (8aR)-7-[(3S)-3-phenylbutyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of (8aR)-7-[(3S)-3-phenylbutyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 99840507) is (8aR)-7-[(3S)-3-phenylbutyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for (8aR)-7-[(3S)-3-phenylbutyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for (8aR)-7-[(3S)-3-phenylbutyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is C[C@@H](CCN1CCN2C(=O)NC[C@@H]2C1)c1ccccc1.
What is the InChIKey of (8aR)-7-[(3S)-3-phenylbutyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is MEMUXWHMRHTWFB-DZGCQCFKSA-N. The full InChI is InChI=1S/C16H23N3O/c1-13(14-5-3-2-4-6-14)7-8-18-9-10-19-15(12-18)11-17-16(19)20/h2-6,13,15H,7-12H2,1H3,(H,17,20)/t13-,15+/m0/s1.
What are the key properties of (8aR)-7-[(3S)-3-phenylbutyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
(8aR)-7-[(3S)-3-phenylbutyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 273.38 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-7-[(3S)-3-phenylbutyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 99840507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).