5,6-di(propan-2-yl)pyrazine-2,3-dicarbonitrile

C12H14N4 — CID 852566

IUPAC5,6-di(propan-2-yl)pyrazine-2,3-dicarbonitrile
SMILESCC(C)c1nc(C#N)c(C#N)nc1C(C)C
InChIInChI=1S/C12H14N4/c1-7(2)11-12(8(3)4)16-10(6-14)9(5-13)15-11/h7-8H,1-4H3
InChIKeyUPIYIWYYEWFEPO-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.47
Rot. Bonds2

About 5,6-di(propan-2-yl)pyrazine-2,3-dicarbonitrile

5,6-di(propan-2-yl)pyrazine-2,3-dicarbonitrile (PubChem CID 852566) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 5,6-di(propan-2-yl)pyrazine-2,3-dicarbonitrile.

Molecular Properties

Compound Name5,6-di(propan-2-yl)pyrazine-2,3-dicarbonitrile
PubChem CID852566
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name5,6-di(propan-2-yl)pyrazine-2,3-dicarbonitrile
SMILESCC(C)c1nc(C#N)c(C#N)nc1C(C)C
InChIInChI=1S/C12H14N4/c1-7(2)11-12(8(3)4)16-10(6-14)9(5-13)15-11/h7-8H,1-4H3
InChIKeyUPIYIWYYEWFEPO-UHFFFAOYSA-N
XLogP2.47
TPSA73.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-di(propan-2-yl)pyrazine-2,3-dicarbonitrile?
The IUPAC name of 5,6-di(propan-2-yl)pyrazine-2,3-dicarbonitrile (CID 852566) is 5,6-di(propan-2-yl)pyrazine-2,3-dicarbonitrile.
What is the SMILES notation for 5,6-di(propan-2-yl)pyrazine-2,3-dicarbonitrile?
The canonical SMILES for 5,6-di(propan-2-yl)pyrazine-2,3-dicarbonitrile is CC(C)c1nc(C#N)c(C#N)nc1C(C)C.
What is the InChIKey of 5,6-di(propan-2-yl)pyrazine-2,3-dicarbonitrile?
The InChIKey is UPIYIWYYEWFEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-7(2)11-12(8(3)4)16-10(6-14)9(5-13)15-11/h7-8H,1-4H3.
What are the key properties of 5,6-di(propan-2-yl)pyrazine-2,3-dicarbonitrile?
5,6-di(propan-2-yl)pyrazine-2,3-dicarbonitrile has a molecular weight of 214.27 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-di(propan-2-yl)pyrazine-2,3-dicarbonitrile is sourced from PubChem (CID 852566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).