7-butanoyl-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde

C12H17N3O2 — CID 115267845

IUPAC7-butanoyl-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde
SMILESCCCC(=O)N1CCn2c(C)nc(C=O)c2C1
InChIInChI=1S/C12H17N3O2/c1-3-4-12(17)14-5-6-15-9(2)13-10(8-16)11(15)7-14/h8H,3-7H2,1-2H3
InChIKeyHWEHZETVAROALR-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.15
Rot. Bonds3

About 7-butanoyl-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde

7-butanoyl-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde (PubChem CID 115267845) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 7-butanoyl-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde.

Molecular Properties

Compound Name7-butanoyl-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde
PubChem CID115267845
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name7-butanoyl-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde
SMILESCCCC(=O)N1CCn2c(C)nc(C=O)c2C1
InChIInChI=1S/C12H17N3O2/c1-3-4-12(17)14-5-6-15-9(2)13-10(8-16)11(15)7-14/h8H,3-7H2,1-2H3
InChIKeyHWEHZETVAROALR-UHFFFAOYSA-N
XLogP1.15
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

7-butanoyl-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid
CID 115267814
7-(cyclopropanecarbonyl)-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde
CID 115267847
7-benzoyl-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde
CID 115267854
1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentan-1-one
CID 110722392
4-butanoyl-1-methylpiperazin-2-one
CID 64693337
1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]piperazin-1-yl]butan-1-one
CID 110396127
1-(3-methylideneazetidin-1-yl)butan-1-one
CID 155738146
ethane;1-pyrrolidin-1-ylbutan-1-one
CID 142223486
1-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]butan-1-one
CID 110365914
1-[1-[2-(dimethylamino)ethyl]-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]butan-1-one
CID 97469103
3,6-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbaldehyde
CID 83827911
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]butan-1-one
CID 17455988

Frequently Asked Questions

What is the IUPAC name of 7-butanoyl-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde?
The IUPAC name of 7-butanoyl-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde (CID 115267845) is 7-butanoyl-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde.
What is the SMILES notation for 7-butanoyl-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde?
The canonical SMILES for 7-butanoyl-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde is CCCC(=O)N1CCn2c(C)nc(C=O)c2C1.
What is the InChIKey of 7-butanoyl-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde?
The InChIKey is HWEHZETVAROALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-3-4-12(17)14-5-6-15-9(2)13-10(8-16)11(15)7-14/h8H,3-7H2,1-2H3.
What are the key properties of 7-butanoyl-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde?
7-butanoyl-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde has a molecular weight of 235.29 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butanoyl-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde is sourced from PubChem (CID 115267845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).