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

C9H9N5 — CID 57396422

IUPAC3-(propylamino)pyrazine-2,5-dicarbonitrile
SMILESCCCNc1nc(C#N)cnc1C#N
InChIInChI=1S/C9H9N5/c1-2-3-12-9-8(5-11)13-6-7(4-10)14-9/h6H,2-3H2,1H3,(H,12,14)
InChIKeyMBZUITZWXXDHAL-UHFFFAOYSA-N
MW187.21 g/mol
LogP1.04
Rot. Bonds3

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

3-(propylamino)pyrazine-2,5-dicarbonitrile (PubChem CID 57396422) has the molecular formula C9H9N5 and a molecular weight of 187.21 g/mol. Its IUPAC name is 3-(propylamino)pyrazine-2,5-dicarbonitrile.

Molecular Properties

Compound Name3-(propylamino)pyrazine-2,5-dicarbonitrile
PubChem CID57396422
Molecular FormulaC9H9N5
Molecular Weight187.21 g/mol
Exact Mass187.09
IUPAC Name3-(propylamino)pyrazine-2,5-dicarbonitrile
SMILESCCCNc1nc(C#N)cnc1C#N
InChIInChI=1S/C9H9N5/c1-2-3-12-9-8(5-11)13-6-7(4-10)14-9/h6H,2-3H2,1H3,(H,12,14)
InChIKeyMBZUITZWXXDHAL-UHFFFAOYSA-N
XLogP1.04
TPSA85.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.21
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(propylamino)pyrazine-2,5-dicarbonitrile?
The IUPAC name of 3-(propylamino)pyrazine-2,5-dicarbonitrile (CID 57396422) is 3-(propylamino)pyrazine-2,5-dicarbonitrile.
What is the SMILES notation for 3-(propylamino)pyrazine-2,5-dicarbonitrile?
The canonical SMILES for 3-(propylamino)pyrazine-2,5-dicarbonitrile is CCCNc1nc(C#N)cnc1C#N.
What is the InChIKey of 3-(propylamino)pyrazine-2,5-dicarbonitrile?
The InChIKey is MBZUITZWXXDHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5/c1-2-3-12-9-8(5-11)13-6-7(4-10)14-9/h6H,2-3H2,1H3,(H,12,14).
What are the key properties of 3-(propylamino)pyrazine-2,5-dicarbonitrile?
3-(propylamino)pyrazine-2,5-dicarbonitrile has a molecular weight of 187.21 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propylamino)pyrazine-2,5-dicarbonitrile is sourced from PubChem (CID 57396422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).