tert-butyl 2-cyano-3-piperazin-1-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate

C16H24N6O2 — CID 163269501

IUPACtert-butyl 2-cyano-3-piperazin-1-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCn2c(nc(C#N)c2N2CCNCC2)C1
InChIInChI=1S/C16H24N6O2/c1-16(2,3)24-15(23)21-8-9-22-13(11-21)19-12(10-17)14(22)20-6-4-18-5-7-20/h18H,4-9,11H2,1-3H3
InChIKeyBBTIBZKHWDTYDA-UHFFFAOYSA-N
MW332.41 g/mol
LogP0.92
Rot. Bonds1

About tert-butyl 2-cyano-3-piperazin-1-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate

tert-butyl 2-cyano-3-piperazin-1-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate (PubChem CID 163269501) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is tert-butyl 2-cyano-3-piperazin-1-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-cyano-3-piperazin-1-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate
PubChem CID163269501
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Nametert-butyl 2-cyano-3-piperazin-1-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCn2c(nc(C#N)c2N2CCNCC2)C1
InChIInChI=1S/C16H24N6O2/c1-16(2,3)24-15(23)21-8-9-22-13(11-21)19-12(10-17)14(22)20-6-4-18-5-7-20/h18H,4-9,11H2,1-3H3
InChIKeyBBTIBZKHWDTYDA-UHFFFAOYSA-N
XLogP0.92
TPSA86.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl 2-cyano-3-piperazin-1-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate with MolForge

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Related Compounds

2-tert-butyl-7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxylic acid
CID 125454860
tert-butyl 3-alumanyl-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate
CID 162586824
tert-butyl 11,12-dioxo-1,4,7,10-tetrazabicyclo[8.2.2]tetradecane-4-carboxylate
CID 16748158
tert-butyl 3-bromo-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate
CID 58417733
tert-butyl 1,4,7,10-tetrazacyclododecane-1-carboxylate
CID 57428961
tert-butyl piperazine-1-carboxylate;methane
CID 174471990
tert-butyl 3-amino-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
CID 83382871
tert-butyl 3-(hydroxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate
CID 71305919
tert-butyl piperazine-1-carboxylate;nitroxyl
CID 172741064
tert-butyl 3,5,6,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
CID 173053744
tert-butyl 4-(3-cyanopyrazin-2-yl)-1,4-diazepane-1-carboxylate
CID 133283889
tert-butyl 4-(2-cyano-3,6-difluorophenyl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2,3,6-trifluorobenzonitrile
CID 160863838

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-cyano-3-piperazin-1-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate?
The IUPAC name of tert-butyl 2-cyano-3-piperazin-1-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate (CID 163269501) is tert-butyl 2-cyano-3-piperazin-1-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate.
What is the SMILES notation for tert-butyl 2-cyano-3-piperazin-1-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate?
The canonical SMILES for tert-butyl 2-cyano-3-piperazin-1-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate is CC(C)(C)OC(=O)N1CCn2c(nc(C#N)c2N2CCNCC2)C1.
What is the InChIKey of tert-butyl 2-cyano-3-piperazin-1-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate?
The InChIKey is BBTIBZKHWDTYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-16(2,3)24-15(23)21-8-9-22-13(11-21)19-12(10-17)14(22)20-6-4-18-5-7-20/h18H,4-9,11H2,1-3H3.
What are the key properties of tert-butyl 2-cyano-3-piperazin-1-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate?
tert-butyl 2-cyano-3-piperazin-1-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate has a molecular weight of 332.41 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-cyano-3-piperazin-1-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate is sourced from PubChem (CID 163269501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).