5-tert-butyl-6-methylpyrazine-2,3-dicarbonitrile

C11H12N4 — CID 121218680

IUPAC5-tert-butyl-6-methylpyrazine-2,3-dicarbonitrile
SMILESCc1nc(C#N)c(C#N)nc1C(C)(C)C
InChIInChI=1S/C11H12N4/c1-7-10(11(2,3)4)15-9(6-13)8(5-12)14-7/h1-4H3
InChIKeyFJGNPXVZZKLOEA-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.83
Rot. Bonds

About 5-tert-butyl-6-methylpyrazine-2,3-dicarbonitrile

5-tert-butyl-6-methylpyrazine-2,3-dicarbonitrile (PubChem CID 121218680) has the molecular formula C11H12N4 and a molecular weight of 200.24 g/mol. Its IUPAC name is 5-tert-butyl-6-methylpyrazine-2,3-dicarbonitrile.

Molecular Properties

Compound Name5-tert-butyl-6-methylpyrazine-2,3-dicarbonitrile
PubChem CID121218680
Molecular FormulaC11H12N4
Molecular Weight200.24 g/mol
Exact Mass200.11
IUPAC Name5-tert-butyl-6-methylpyrazine-2,3-dicarbonitrile
SMILESCc1nc(C#N)c(C#N)nc1C(C)(C)C
InChIInChI=1S/C11H12N4/c1-7-10(11(2,3)4)15-9(6-13)8(5-12)14-7/h1-4H3
InChIKeyFJGNPXVZZKLOEA-UHFFFAOYSA-N
XLogP1.83
TPSA73.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-6-methylpyrazine-2,3-dicarbonitrile?
The IUPAC name of 5-tert-butyl-6-methylpyrazine-2,3-dicarbonitrile (CID 121218680) is 5-tert-butyl-6-methylpyrazine-2,3-dicarbonitrile.
What is the SMILES notation for 5-tert-butyl-6-methylpyrazine-2,3-dicarbonitrile?
The canonical SMILES for 5-tert-butyl-6-methylpyrazine-2,3-dicarbonitrile is Cc1nc(C#N)c(C#N)nc1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-6-methylpyrazine-2,3-dicarbonitrile?
The InChIKey is FJGNPXVZZKLOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c1-7-10(11(2,3)4)15-9(6-13)8(5-12)14-7/h1-4H3.
What are the key properties of 5-tert-butyl-6-methylpyrazine-2,3-dicarbonitrile?
5-tert-butyl-6-methylpyrazine-2,3-dicarbonitrile has a molecular weight of 200.24 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-6-methylpyrazine-2,3-dicarbonitrile is sourced from PubChem (CID 121218680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).