tert-butyl 3-formyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate

C12H17N3O3 — CID 76849820

IUPACtert-butyl 3-formyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCn2c(cnc2C=O)C1
InChIInChI=1S/C12H17N3O3/c1-12(2,3)18-11(17)14-4-5-15-9(7-14)6-13-10(15)8-16/h6,8H,4-5,7H2,1-3H3
InChIKeyGCAOAXTVSBYBBZ-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.45
Rot. Bonds1

About tert-butyl 3-formyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate

tert-butyl 3-formyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate (PubChem CID 76849820) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is tert-butyl 3-formyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-formyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
PubChem CID76849820
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Nametert-butyl 3-formyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCn2c(cnc2C=O)C1
InChIInChI=1S/C12H17N3O3/c1-12(2,3)18-11(17)14-4-5-15-9(7-14)6-13-10(15)8-16/h6,8H,4-5,7H2,1-3H3
InChIKeyGCAOAXTVSBYBBZ-UHFFFAOYSA-N
XLogP1.45
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-Butyl 3-bromo-5,6-dihydroimidazo[1,5-a]pyrazine-7(8H)-carboxylate
CID 70700366
tert-butyl 3-methyl-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-7-carboxylate
CID 91666796
tert-butyl 3-amino-5H,6H,7H,8H-imidazo(1,5-a)pyrazine-7-carboxylate hydrochloride
CID 165589107
Imidazo[1,5-a]pyrazine-7(8h)-carboxylic acid,5,6-dihydro-3-(trifluoromethyl)-,1,1-dimethylethyl ester
CID 57518450
7-(tert-Butoxycarbonyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 58417754
tert-butyl 3-amino-5H,6H,7H,8H-imidazo[1,5-a]pyrazine-7-carboxylate
CID 129972532
butyl 3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
CID 141289069
tert-butyl 8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
CID 141322292
tert-butyl (5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
CID 152201409
tert-butyl (5S)-5-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
CID 155196862
tert-Butyl 2-formyl-6-(trifluoromethyl)-5,6-dihydroimidazo[1,2-a]pyrazine-7(8H)-carboxylate
CID 168230907
methyl 3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
CID 168861013

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-formyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate?
The IUPAC name of tert-butyl 3-formyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate (CID 76849820) is tert-butyl 3-formyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate.
What is the SMILES notation for tert-butyl 3-formyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate?
The canonical SMILES for tert-butyl 3-formyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate is CC(C)(C)OC(=O)N1CCn2c(cnc2C=O)C1.
What is the InChIKey of tert-butyl 3-formyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate?
The InChIKey is GCAOAXTVSBYBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-12(2,3)18-11(17)14-4-5-15-9(7-14)6-13-10(15)8-16/h6,8H,4-5,7H2,1-3H3.
What are the key properties of tert-butyl 3-formyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate?
tert-butyl 3-formyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate has a molecular weight of 251.29 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-formyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate is sourced from PubChem (CID 76849820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).