3,5-diaminopyrazine-2,6-dicarbonitrile

C6H4N6 — CID 19022925

IUPAC3,5-diaminopyrazine-2,6-dicarbonitrile
SMILESN#Cc1nc(C#N)c(N)nc1N
InChIInChI=1S/C6H4N6/c7-1-3-5(9)12-6(10)4(2-8)11-3/h(H4,9,10,12)
InChIKeyYYRZHBNPCYGDJD-UHFFFAOYSA-N
MW160.14 g/mol
LogP-0.62
Rot. Bonds

About 3,5-diaminopyrazine-2,6-dicarbonitrile

3,5-diaminopyrazine-2,6-dicarbonitrile (PubChem CID 19022925) has the molecular formula C6H4N6 and a molecular weight of 160.14 g/mol. Its IUPAC name is 3,5-diaminopyrazine-2,6-dicarbonitrile.

Molecular Properties

Compound Name3,5-diaminopyrazine-2,6-dicarbonitrile
PubChem CID19022925
Molecular FormulaC6H4N6
Molecular Weight160.14 g/mol
Exact Mass160.05
IUPAC Name3,5-diaminopyrazine-2,6-dicarbonitrile
SMILESN#Cc1nc(C#N)c(N)nc1N
InChIInChI=1S/C6H4N6/c7-1-3-5(9)12-6(10)4(2-8)11-3/h(H4,9,10,12)
InChIKeyYYRZHBNPCYGDJD-UHFFFAOYSA-N
XLogP-0.62
TPSA125.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.14
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-diaminopyrazine-2,6-dicarbonitrile?
The IUPAC name of 3,5-diaminopyrazine-2,6-dicarbonitrile (CID 19022925) is 3,5-diaminopyrazine-2,6-dicarbonitrile.
What is the SMILES notation for 3,5-diaminopyrazine-2,6-dicarbonitrile?
The canonical SMILES for 3,5-diaminopyrazine-2,6-dicarbonitrile is N#Cc1nc(C#N)c(N)nc1N.
What is the InChIKey of 3,5-diaminopyrazine-2,6-dicarbonitrile?
The InChIKey is YYRZHBNPCYGDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N6/c7-1-3-5(9)12-6(10)4(2-8)11-3/h(H4,9,10,12).
What are the key properties of 3,5-diaminopyrazine-2,6-dicarbonitrile?
3,5-diaminopyrazine-2,6-dicarbonitrile has a molecular weight of 160.14 g/mol, XLogP of -0.62, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diaminopyrazine-2,6-dicarbonitrile is sourced from PubChem (CID 19022925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).