6-tert-butyl-N-ethenyl-1-methylpyrazin-2-imine

C11H17N3 — CID 134170624

IUPAC6-tert-butyl-N-ethenyl-1-methylpyrazin-2-imine
SMILESC=C/N=c1\cncc(C(C)(C)C)n1C
InChIInChI=1S/C11H17N3/c1-6-13-10-8-12-7-9(14(10)5)11(2,3)4/h6-8H,1H2,2-5H3/b13-10+
InChIKeyXGRGJHSTRDBUSW-JLHYYAGUSA-N
MW191.28 g/mol
LogP1.76
Rot. Bonds1

About 6-tert-butyl-N-ethenyl-1-methylpyrazin-2-imine

6-tert-butyl-N-ethenyl-1-methylpyrazin-2-imine (PubChem CID 134170624) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 6-tert-butyl-N-ethenyl-1-methylpyrazin-2-imine.

Molecular Properties

Compound Name6-tert-butyl-N-ethenyl-1-methylpyrazin-2-imine
PubChem CID134170624
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name6-tert-butyl-N-ethenyl-1-methylpyrazin-2-imine
SMILESC=C/N=c1\cncc(C(C)(C)C)n1C
InChIInChI=1S/C11H17N3/c1-6-13-10-8-12-7-9(14(10)5)11(2,3)4/h6-8H,1H2,2-5H3/b13-10+
InChIKeyXGRGJHSTRDBUSW-JLHYYAGUSA-N
XLogP1.76
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-ethenyl-1-methylpyrazin-2-imine?
The IUPAC name of 6-tert-butyl-N-ethenyl-1-methylpyrazin-2-imine (CID 134170624) is 6-tert-butyl-N-ethenyl-1-methylpyrazin-2-imine.
What is the SMILES notation for 6-tert-butyl-N-ethenyl-1-methylpyrazin-2-imine?
The canonical SMILES for 6-tert-butyl-N-ethenyl-1-methylpyrazin-2-imine is C=C/N=c1\cncc(C(C)(C)C)n1C.
What is the InChIKey of 6-tert-butyl-N-ethenyl-1-methylpyrazin-2-imine?
The InChIKey is XGRGJHSTRDBUSW-JLHYYAGUSA-N. The full InChI is InChI=1S/C11H17N3/c1-6-13-10-8-12-7-9(14(10)5)11(2,3)4/h6-8H,1H2,2-5H3/b13-10+.
What are the key properties of 6-tert-butyl-N-ethenyl-1-methylpyrazin-2-imine?
6-tert-butyl-N-ethenyl-1-methylpyrazin-2-imine has a molecular weight of 191.28 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-ethenyl-1-methylpyrazin-2-imine is sourced from PubChem (CID 134170624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).