benzyl 1-methyl-3-oxo-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazine-7-carboxylate

C15H17N3O3 — CID 112547120

IUPACbenzyl 1-methyl-3-oxo-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazine-7-carboxylate
SMILESCc1[nH]c(=O)n2c1CN(C(=O)OCc1ccccc1)CC2
InChIInChI=1S/C15H17N3O3/c1-11-13-9-17(7-8-18(13)14(19)16-11)15(20)21-10-12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H,16,19)
InChIKeyRKLNWAIBRGVGHB-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.64
Rot. Bonds2

About benzyl 1-methyl-3-oxo-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazine-7-carboxylate

benzyl 1-methyl-3-oxo-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazine-7-carboxylate (PubChem CID 112547120) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is benzyl 1-methyl-3-oxo-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazine-7-carboxylate.

Molecular Properties

Compound Namebenzyl 1-methyl-3-oxo-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazine-7-carboxylate
PubChem CID112547120
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Namebenzyl 1-methyl-3-oxo-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazine-7-carboxylate
SMILESCc1[nH]c(=O)n2c1CN(C(=O)OCc1ccccc1)CC2
InChIInChI=1S/C15H17N3O3/c1-11-13-9-17(7-8-18(13)14(19)16-11)15(20)21-10-12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H,16,19)
InChIKeyRKLNWAIBRGVGHB-UHFFFAOYSA-N
XLogP1.64
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl aziridine-1-carboxylate;silane
CID 158496499
6-methyl-2-phenylmethoxycarbonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxylic acid
CID 167722559
benzyl 3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
CID 58417718
benzyl 2-iodo-3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;3-methyl-7-phenylmethoxycarbonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylic acid
CID 157239694
benzyl 3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 15326864
benzyl piperidine-1-carboxylate
CID 158057698
7-phenylmethoxycarbonyl-2-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxylic acid
CID 125455073
7-phenylmethoxycarbonyl-2-propyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxylic acid
CID 125451270
benzyl 1,4,7,10-tetrazacyclododecane-1-carboxylate
CID 11154253
benzyl 5-bromo-3,6-dihydro-2H-pyridine-1-carboxylate
CID 138039619
benzyl 4-propanethioylpiperazine-1-carboxylate
CID 123985918

Frequently Asked Questions

What is the IUPAC name of benzyl 1-methyl-3-oxo-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazine-7-carboxylate?
The IUPAC name of benzyl 1-methyl-3-oxo-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazine-7-carboxylate (CID 112547120) is benzyl 1-methyl-3-oxo-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazine-7-carboxylate.
What is the SMILES notation for benzyl 1-methyl-3-oxo-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazine-7-carboxylate?
The canonical SMILES for benzyl 1-methyl-3-oxo-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazine-7-carboxylate is Cc1[nH]c(=O)n2c1CN(C(=O)OCc1ccccc1)CC2.
What is the InChIKey of benzyl 1-methyl-3-oxo-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazine-7-carboxylate?
The InChIKey is RKLNWAIBRGVGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-11-13-9-17(7-8-18(13)14(19)16-11)15(20)21-10-12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H,16,19).
What are the key properties of benzyl 1-methyl-3-oxo-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazine-7-carboxylate?
benzyl 1-methyl-3-oxo-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazine-7-carboxylate has a molecular weight of 287.32 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 1-methyl-3-oxo-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazine-7-carboxylate is sourced from PubChem (CID 112547120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).