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

C11H13N5 — CID 57394665

IUPAC3-(pentylamino)pyrazine-2,5-dicarbonitrile
SMILESCCCCCNc1nc(C#N)cnc1C#N
InChIInChI=1S/C11H13N5/c1-2-3-4-5-14-11-10(7-13)15-8-9(6-12)16-11/h8H,2-5H2,1H3,(H,14,16)
InChIKeyMLNWNYGSPNIHAP-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.82
Rot. Bonds5

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

3-(pentylamino)pyrazine-2,5-dicarbonitrile (PubChem CID 57394665) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is 3-(pentylamino)pyrazine-2,5-dicarbonitrile.

Molecular Properties

Compound Name3-(pentylamino)pyrazine-2,5-dicarbonitrile
PubChem CID57394665
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name3-(pentylamino)pyrazine-2,5-dicarbonitrile
SMILESCCCCCNc1nc(C#N)cnc1C#N
InChIInChI=1S/C11H13N5/c1-2-3-4-5-14-11-10(7-13)15-8-9(6-12)16-11/h8H,2-5H2,1H3,(H,14,16)
InChIKeyMLNWNYGSPNIHAP-UHFFFAOYSA-N
XLogP1.82
TPSA85.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-Aminopyrazine-2,6-dicarbonitrile
CID 13925295
3-Aminopyrazine-2-carbonitrile
CID 817699
6-(Cyclohexylamino)pyrazine-2-carbonitrile
CID 16108898
3-(Methylamino)pyrazine-2-carbonitrile
CID 821140
5-Aminopyrazine-2-carbonitrile
CID 13925294
2-Methyl-3-(piperazin-1-yl)pyrazine
CID 45099710
2-Methyl-6-piperazin-1-ylpyrazine;hydrochloride
CID 90674676
N,3-Dimethylpyrazin-2-amine
CID 44327445
3-(Diethylamino)pyrazine-2,5-dicarbonitrile
CID 57391054
3-(Piperazin-1-yl)pyrazine-2-carbonitrile
CID 2760441
N,6-dimethylpyrazin-2-amine
CID 55286460
3-(Hexylamino)pyrazine-2,5-dicarbonitrile
CID 57334415

Frequently Asked Questions

What is the IUPAC name of 3-(pentylamino)pyrazine-2,5-dicarbonitrile?
The IUPAC name of 3-(pentylamino)pyrazine-2,5-dicarbonitrile (CID 57394665) is 3-(pentylamino)pyrazine-2,5-dicarbonitrile.
What is the SMILES notation for 3-(pentylamino)pyrazine-2,5-dicarbonitrile?
The canonical SMILES for 3-(pentylamino)pyrazine-2,5-dicarbonitrile is CCCCCNc1nc(C#N)cnc1C#N.
What is the InChIKey of 3-(pentylamino)pyrazine-2,5-dicarbonitrile?
The InChIKey is MLNWNYGSPNIHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c1-2-3-4-5-14-11-10(7-13)15-8-9(6-12)16-11/h8H,2-5H2,1H3,(H,14,16).
What are the key properties of 3-(pentylamino)pyrazine-2,5-dicarbonitrile?
3-(pentylamino)pyrazine-2,5-dicarbonitrile has a molecular weight of 215.26 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pentylamino)pyrazine-2,5-dicarbonitrile is sourced from PubChem (CID 57394665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).