7-cyclobutyl-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one

C11H19N3O — CID 163068365

IUPAC7-cyclobutyl-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESCN1CC2CN(C3CCC3)CCN2C1=O
InChIInChI=1S/C11H19N3O/c1-12-7-10-8-13(9-3-2-4-9)5-6-14(10)11(12)15/h9-10H,2-8H2,1H3
InChIKeyTWQNYUHSHOURDC-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.59
Rot. Bonds1

About 7-cyclobutyl-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one

7-cyclobutyl-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (PubChem CID 163068365) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 7-cyclobutyl-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-cyclobutyl-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
PubChem CID163068365
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name7-cyclobutyl-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESCN1CC2CN(C3CCC3)CCN2C1=O
InChIInChI=1S/C11H19N3O/c1-12-7-10-8-13(9-3-2-4-9)5-6-14(10)11(12)15/h9-10H,2-8H2,1H3
InChIKeyTWQNYUHSHOURDC-UHFFFAOYSA-N
XLogP0.59
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(8aR)-7-cyclobutyl-2-(2-methoxyethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 75537136
2-methyl-7-propan-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 146394625
1-methyl-3-piperidin-3-ylimidazolidin-2-one;trihydrochloride
CID 175684354
(9aR)-8-cyclopropyl-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-4-one
CID 177162877
1-(1-cyclopropylpyrrolidin-3-yl)-1,3-diazinan-2-one
CID 115371023
(2R)-4-cyclobutyl-1,2-dimethylpiperazine
CID 145118927
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclohexan-1-one
CID 114762273
7-[(4-fluorophenyl)methyl]-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 163059698
2-piperidin-4-yl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82862742
tert-butyl (3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidine-1-carboxylate
CID 118114841
1-(3-aminocyclopentyl)-3-methylimidazolidin-2-one
CID 83817265
1-methyl-3-[(3S)-pyrrolidin-3-yl]imidazolidin-2-one
CID 96631898

Frequently Asked Questions

What is the IUPAC name of 7-cyclobutyl-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-cyclobutyl-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (CID 163068365) is 7-cyclobutyl-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-cyclobutyl-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-cyclobutyl-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is CN1CC2CN(C3CCC3)CCN2C1=O.
What is the InChIKey of 7-cyclobutyl-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The InChIKey is TWQNYUHSHOURDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-12-7-10-8-13(9-3-2-4-9)5-6-14(10)11(12)15/h9-10H,2-8H2,1H3.
What are the key properties of 7-cyclobutyl-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
7-cyclobutyl-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one has a molecular weight of 209.29 g/mol, XLogP of 0.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclobutyl-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 163068365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).