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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Related Compounds

3,6-diamino-5-isocyanopyrazine-2-carbonitrile
CID 140915767
5-amino-11,16-dimethyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,10,17-tricarbonitrile
CID 70856637
3,6-diamino-[1,2]oxazolo[3,4-b]pyrazine-5-carbonitrile
CID 10241308
5-amino-6-methylpyrazine-2,3-dicarbonitrile
CID 71440315
3-amino-5-iodopyrazine-2-carbonitrile
CID 150506805
3-amino-5-(3,5-dimethylpyrazol-1-yl)pyrazine-2,6-dicarbonitrile
CID 10014474
3-amino-5-methyl-6-phenylpyrazine-2-carbonitrile
CID 20567061
methyl 6-amino-5-cyano-3-methylpyrazine-2-carboxylate
CID 12625134
5-amino-6-propan-2-ylpyrazine-2,3-dicarbonitrile
CID 53406964
5-amino-6-methoxypyrazine-2,3-dicarbonitrile
CID 82254069
2-aminotriazole-4,5-dicarbonitrile
CID 168872851
3-amino-6-(4-bromophenyl)-5-methylpyrazine-2-carbonitrile
CID 20567070

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).