2-(6-amino-3-cyanopyrazin-2-yl)propanedinitrile

C8H4N6 — CID 134891703

IUPAC2-(6-amino-3-cyanopyrazin-2-yl)propanedinitrile
SMILESN#Cc1ncc(N)nc1C(C#N)C#N
InChIInChI=1S/C8H4N6/c9-1-5(2-10)8-6(3-11)13-4-7(12)14-8/h4-5H,(H2,12,14)
InChIKeyNYQXYXRLGIZITB-UHFFFAOYSA-N
MW184.16 g/mol
LogP0.06
Rot. Bonds1

About 2-(6-amino-3-cyanopyrazin-2-yl)propanedinitrile

2-(6-amino-3-cyanopyrazin-2-yl)propanedinitrile (PubChem CID 134891703) has the molecular formula C8H4N6 and a molecular weight of 184.16 g/mol. Its IUPAC name is 2-(6-amino-3-cyanopyrazin-2-yl)propanedinitrile.

Molecular Properties

Compound Name2-(6-amino-3-cyanopyrazin-2-yl)propanedinitrile
PubChem CID134891703
Molecular FormulaC8H4N6
Molecular Weight184.16 g/mol
Exact Mass184.05
IUPAC Name2-(6-amino-3-cyanopyrazin-2-yl)propanedinitrile
SMILESN#Cc1ncc(N)nc1C(C#N)C#N
InChIInChI=1S/C8H4N6/c9-1-5(2-10)8-6(3-11)13-4-7(12)14-8/h4-5H,(H2,12,14)
InChIKeyNYQXYXRLGIZITB-UHFFFAOYSA-N
XLogP0.06
TPSA123.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-3-cyanopyrazin-2-yl)propanedinitrile?
The IUPAC name of 2-(6-amino-3-cyanopyrazin-2-yl)propanedinitrile (CID 134891703) is 2-(6-amino-3-cyanopyrazin-2-yl)propanedinitrile.
What is the SMILES notation for 2-(6-amino-3-cyanopyrazin-2-yl)propanedinitrile?
The canonical SMILES for 2-(6-amino-3-cyanopyrazin-2-yl)propanedinitrile is N#Cc1ncc(N)nc1C(C#N)C#N.
What is the InChIKey of 2-(6-amino-3-cyanopyrazin-2-yl)propanedinitrile?
The InChIKey is NYQXYXRLGIZITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4N6/c9-1-5(2-10)8-6(3-11)13-4-7(12)14-8/h4-5H,(H2,12,14).
What are the key properties of 2-(6-amino-3-cyanopyrazin-2-yl)propanedinitrile?
2-(6-amino-3-cyanopyrazin-2-yl)propanedinitrile has a molecular weight of 184.16 g/mol, XLogP of 0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-3-cyanopyrazin-2-yl)propanedinitrile is sourced from PubChem (CID 134891703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).