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

C12H17N3O3 — CID 115267814

IUPAC7-butanoyl-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid
SMILESCCCC(=O)N1CCn2c(C)nc(C(=O)O)c2C1
InChIInChI=1S/C12H17N3O3/c1-3-4-10(16)14-5-6-15-8(2)13-11(12(17)18)9(15)7-14/h3-7H2,1-2H3,(H,17,18)
InChIKeyHFPYBYYFNSZFNN-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.03
Rot. Bonds3

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

7-butanoyl-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid (PubChem CID 115267814) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 7-butanoyl-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid.

Molecular Properties

Compound Name7-butanoyl-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid
PubChem CID115267814
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name7-butanoyl-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid
SMILESCCCC(=O)N1CCn2c(C)nc(C(=O)O)c2C1
InChIInChI=1S/C12H17N3O3/c1-3-4-10(16)14-5-6-15-8(2)13-11(12(17)18)9(15)7-14/h3-7H2,1-2H3,(H,17,18)
InChIKeyHFPYBYYFNSZFNN-UHFFFAOYSA-N
XLogP1.03
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-butanoyl-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde
CID 115267845
3-methyl-7-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyridine-1-carboxylic acid
CID 105447864
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
3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylic acid
CID 91231763
7-(3-formamidobutanoyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid
CID 143827436
1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]piperazin-1-yl]butan-1-one
CID 110396127
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
1-(3-methylideneazetidin-1-yl)butan-1-one
CID 155738146
7-(4-methylpentanoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid
CID 115273264
ethane;1-pyrrolidin-1-ylbutan-1-one
CID 142223486
7-benzoyl-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde
CID 115267854

Frequently Asked Questions

What is the IUPAC name of 7-butanoyl-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid?
The IUPAC name of 7-butanoyl-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid (CID 115267814) is 7-butanoyl-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid.
What is the SMILES notation for 7-butanoyl-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid?
The canonical SMILES for 7-butanoyl-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid is CCCC(=O)N1CCn2c(C)nc(C(=O)O)c2C1.
What is the InChIKey of 7-butanoyl-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid?
The InChIKey is HFPYBYYFNSZFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-3-4-10(16)14-5-6-15-8(2)13-11(12(17)18)9(15)7-14/h3-7H2,1-2H3,(H,17,18).
What are the key properties of 7-butanoyl-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid?
7-butanoyl-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 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-carboxylic acid is sourced from PubChem (CID 115267814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).