tert-butyl N-imidazo[1,2-a]pyrazin-8-yl-N-methylcarbamate

C12H16N4O2 — CID 141203596

IUPACtert-butyl N-imidazo[1,2-a]pyrazin-8-yl-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1nccn2ccnc12
InChIInChI=1S/C12H16N4O2/c1-12(2,3)18-11(17)15(4)9-10-14-6-8-16(10)7-5-13-9/h5-8H,1-4H3
InChIKeyOUYYKBNDOQKJDB-UHFFFAOYSA-N
MW248.29 g/mol
LogP2.10
Rot. Bonds1

About tert-butyl N-imidazo[1,2-a]pyrazin-8-yl-N-methylcarbamate

tert-butyl N-imidazo[1,2-a]pyrazin-8-yl-N-methylcarbamate (PubChem CID 141203596) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is tert-butyl N-imidazo[1,2-a]pyrazin-8-yl-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-imidazo[1,2-a]pyrazin-8-yl-N-methylcarbamate
PubChem CID141203596
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Nametert-butyl N-imidazo[1,2-a]pyrazin-8-yl-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1nccn2ccnc12
InChIInChI=1S/C12H16N4O2/c1-12(2,3)18-11(17)15(4)9-10-14-6-8-16(10)7-5-13-9/h5-8H,1-4H3
InChIKeyOUYYKBNDOQKJDB-UHFFFAOYSA-N
XLogP2.10
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-imidazo[1,2-a]pyrazin-8-yl-N-methylcarbamate?
The IUPAC name of tert-butyl N-imidazo[1,2-a]pyrazin-8-yl-N-methylcarbamate (CID 141203596) is tert-butyl N-imidazo[1,2-a]pyrazin-8-yl-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-imidazo[1,2-a]pyrazin-8-yl-N-methylcarbamate?
The canonical SMILES for tert-butyl N-imidazo[1,2-a]pyrazin-8-yl-N-methylcarbamate is CN(C(=O)OC(C)(C)C)c1nccn2ccnc12.
What is the InChIKey of tert-butyl N-imidazo[1,2-a]pyrazin-8-yl-N-methylcarbamate?
The InChIKey is OUYYKBNDOQKJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-12(2,3)18-11(17)15(4)9-10-14-6-8-16(10)7-5-13-9/h5-8H,1-4H3.
What are the key properties of tert-butyl N-imidazo[1,2-a]pyrazin-8-yl-N-methylcarbamate?
tert-butyl N-imidazo[1,2-a]pyrazin-8-yl-N-methylcarbamate has a molecular weight of 248.29 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-imidazo[1,2-a]pyrazin-8-yl-N-methylcarbamate is sourced from PubChem (CID 141203596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).