3-(diethylamino)pyrazine-2,5-dicarbonitrile

C10H11N5 — CID 57391054

IUPAC3-(diethylamino)pyrazine-2,5-dicarbonitrile
SMILESCCN(CC)c1nc(C#N)cnc1C#N
InChIInChI=1S/C10H11N5/c1-3-15(4-2)10-9(6-12)13-7-8(5-11)14-10/h7H,3-4H2,1-2H3
InChIKeyIYRKCSPOZHUPAQ-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.07
Rot. Bonds3

About 3-(diethylamino)pyrazine-2,5-dicarbonitrile

3-(diethylamino)pyrazine-2,5-dicarbonitrile (PubChem CID 57391054) has the molecular formula C10H11N5 and a molecular weight of 201.23 g/mol. Its IUPAC name is 3-(diethylamino)pyrazine-2,5-dicarbonitrile.

Molecular Properties

Compound Name3-(diethylamino)pyrazine-2,5-dicarbonitrile
PubChem CID57391054
Molecular FormulaC10H11N5
Molecular Weight201.23 g/mol
Exact Mass201.10
IUPAC Name3-(diethylamino)pyrazine-2,5-dicarbonitrile
SMILESCCN(CC)c1nc(C#N)cnc1C#N
InChIInChI=1S/C10H11N5/c1-3-15(4-2)10-9(6-12)13-7-8(5-11)14-10/h7H,3-4H2,1-2H3
InChIKeyIYRKCSPOZHUPAQ-UHFFFAOYSA-N
XLogP1.07
TPSA76.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Modaline
CID 17860
2-Amino-3,5-dimethylpyrazine
CID 2774764
3-Aminopyrazine-2,6-dicarbonitrile
CID 13925295
3-Aminopyrazine-2-carbonitrile
CID 817699
6-(Cyclohexylamino)pyrazine-2-carbonitrile
CID 16108898
Pyrazine, 2-methyl-3-piperidino-, monohydrochloride
CID 83550
3-(Methylamino)pyrazine-2-carbonitrile
CID 821140
3,6-Dimethylpyrazin-2-amine
CID 13261500
5-Aminopyrazine-2-carbonitrile
CID 13925294
2-Methyl-3-(piperazin-1-yl)pyrazine
CID 45099710
N,N-diethyl-2-[4-(5-methylpyrazin-2-yl)piperazin-1-yl]ethanamine
CID 49778905
2-Methyl-6-piperazin-1-ylpyrazine;hydrochloride
CID 90674676

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)pyrazine-2,5-dicarbonitrile?
The IUPAC name of 3-(diethylamino)pyrazine-2,5-dicarbonitrile (CID 57391054) is 3-(diethylamino)pyrazine-2,5-dicarbonitrile.
What is the SMILES notation for 3-(diethylamino)pyrazine-2,5-dicarbonitrile?
The canonical SMILES for 3-(diethylamino)pyrazine-2,5-dicarbonitrile is CCN(CC)c1nc(C#N)cnc1C#N.
What is the InChIKey of 3-(diethylamino)pyrazine-2,5-dicarbonitrile?
The InChIKey is IYRKCSPOZHUPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5/c1-3-15(4-2)10-9(6-12)13-7-8(5-11)14-10/h7H,3-4H2,1-2H3.
What are the key properties of 3-(diethylamino)pyrazine-2,5-dicarbonitrile?
3-(diethylamino)pyrazine-2,5-dicarbonitrile has a molecular weight of 201.23 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)pyrazine-2,5-dicarbonitrile is sourced from PubChem (CID 57391054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).