5-amino-6-(tert-butylamino)pyrazine-2,3-dicarbonitrile

C10H12N6 — CID 14576437

IUPAC5-amino-6-(tert-butylamino)pyrazine-2,3-dicarbonitrile
SMILESCC(C)(C)Nc1nc(C#N)c(C#N)nc1N
InChIInChI=1S/C10H12N6/c1-10(2,3)16-9-8(13)14-6(4-11)7(5-12)15-9/h1-3H3,(H2,13,14)(H,15,16)
InChIKeyWCHYGEFWZGIMBL-UHFFFAOYSA-N
MW216.25 g/mol
LogP1.01
Rot. Bonds1

About 5-amino-6-(tert-butylamino)pyrazine-2,3-dicarbonitrile

5-amino-6-(tert-butylamino)pyrazine-2,3-dicarbonitrile (PubChem CID 14576437) has the molecular formula C10H12N6 and a molecular weight of 216.25 g/mol. Its IUPAC name is 5-amino-6-(tert-butylamino)pyrazine-2,3-dicarbonitrile.

Molecular Properties

Compound Name5-amino-6-(tert-butylamino)pyrazine-2,3-dicarbonitrile
PubChem CID14576437
Molecular FormulaC10H12N6
Molecular Weight216.25 g/mol
Exact Mass216.11
IUPAC Name5-amino-6-(tert-butylamino)pyrazine-2,3-dicarbonitrile
SMILESCC(C)(C)Nc1nc(C#N)c(C#N)nc1N
InChIInChI=1S/C10H12N6/c1-10(2,3)16-9-8(13)14-6(4-11)7(5-12)15-9/h1-3H3,(H2,13,14)(H,15,16)
InChIKeyWCHYGEFWZGIMBL-UHFFFAOYSA-N
XLogP1.01
TPSA111.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.25
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(tert-butylamino)pyrazine-2,3-dicarbonitrile?
The IUPAC name of 5-amino-6-(tert-butylamino)pyrazine-2,3-dicarbonitrile (CID 14576437) is 5-amino-6-(tert-butylamino)pyrazine-2,3-dicarbonitrile.
What is the SMILES notation for 5-amino-6-(tert-butylamino)pyrazine-2,3-dicarbonitrile?
The canonical SMILES for 5-amino-6-(tert-butylamino)pyrazine-2,3-dicarbonitrile is CC(C)(C)Nc1nc(C#N)c(C#N)nc1N.
What is the InChIKey of 5-amino-6-(tert-butylamino)pyrazine-2,3-dicarbonitrile?
The InChIKey is WCHYGEFWZGIMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6/c1-10(2,3)16-9-8(13)14-6(4-11)7(5-12)15-9/h1-3H3,(H2,13,14)(H,15,16).
What are the key properties of 5-amino-6-(tert-butylamino)pyrazine-2,3-dicarbonitrile?
5-amino-6-(tert-butylamino)pyrazine-2,3-dicarbonitrile has a molecular weight of 216.25 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(tert-butylamino)pyrazine-2,3-dicarbonitrile is sourced from PubChem (CID 14576437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).