7-[2-(azetidin-3-yl)acetyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C11H18N4O2 — CID 79091353

IUPAC7-[2-(azetidin-3-yl)acetyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESO=C(CC1CNC1)N1CCN2C(=O)NCC2C1
InChIInChI=1S/C11H18N4O2/c16-10(3-8-4-12-5-8)14-1-2-15-9(7-14)6-13-11(15)17/h8-9,12H,1-7H2,(H,13,17)
InChIKeyLQIKAWYJAMRDQQ-UHFFFAOYSA-N
MW238.29 g/mol
LogP-1.17
Rot. Bonds2

About 7-[2-(azetidin-3-yl)acetyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

7-[2-(azetidin-3-yl)acetyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 79091353) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 7-[2-(azetidin-3-yl)acetyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-[2-(azetidin-3-yl)acetyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID79091353
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name7-[2-(azetidin-3-yl)acetyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESO=C(CC1CNC1)N1CCN2C(=O)NCC2C1
InChIInChI=1S/C11H18N4O2/c16-10(3-8-4-12-5-8)14-1-2-15-9(7-14)6-13-11(15)17/h8-9,12H,1-7H2,(H,13,17)
InChIKeyLQIKAWYJAMRDQQ-UHFFFAOYSA-N
XLogP-1.17
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-[2-(azetidin-3-yl)acetyl]-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

7-[2-[4-(aminomethyl)cyclohexyl]acetyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79095414
7-(4-aminobutanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091744
5-oxo-5-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)pentanoic acid
CID 79092252
7-[1-(aminomethyl)cyclopropanecarbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 80598198
3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbohydrazide
CID 79094683
7-(2-sulfanylpropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 107031951
7-[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79095527
(8aR)-7-(4-methyl-4-phenylpentanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 97241517
7-[4-(2-aminoethyl)-5-methylhexanoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79096433
7-(2-aminopropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091194
7-(2-bromo-2-methylpropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 114328869
2-(azetidin-3-yl)-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone
CID 64612264

Frequently Asked Questions

What is the IUPAC name of 7-[2-(azetidin-3-yl)acetyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-[2-(azetidin-3-yl)acetyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 79091353) is 7-[2-(azetidin-3-yl)acetyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-[2-(azetidin-3-yl)acetyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-[2-(azetidin-3-yl)acetyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is O=C(CC1CNC1)N1CCN2C(=O)NCC2C1.
What is the InChIKey of 7-[2-(azetidin-3-yl)acetyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is LQIKAWYJAMRDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c16-10(3-8-4-12-5-8)14-1-2-15-9(7-14)6-13-11(15)17/h8-9,12H,1-7H2,(H,13,17).
What are the key properties of 7-[2-(azetidin-3-yl)acetyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-[2-(azetidin-3-yl)acetyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 238.29 g/mol, XLogP of -1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(azetidin-3-yl)acetyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 79091353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).