3-[2-(methylamino)ethylamino]pyrazine-2-carbonitrile

C8H11N5 — CID 62674136

IUPAC3-[2-(methylamino)ethylamino]pyrazine-2-carbonitrile
SMILESCNCCNc1nccnc1C#N
InChIInChI=1S/C8H11N5/c1-10-2-3-12-8-7(6-9)11-4-5-13-8/h4-5,10H,2-3H2,1H3,(H,12,13)
InChIKeyKWXIAUMYQMGPDW-UHFFFAOYSA-N
MW177.21 g/mol
LogP-0.02
Rot. Bonds4

About 3-[2-(methylamino)ethylamino]pyrazine-2-carbonitrile

3-[2-(methylamino)ethylamino]pyrazine-2-carbonitrile (PubChem CID 62674136) has the molecular formula C8H11N5 and a molecular weight of 177.21 g/mol. Its IUPAC name is 3-[2-(methylamino)ethylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[2-(methylamino)ethylamino]pyrazine-2-carbonitrile
PubChem CID62674136
Molecular FormulaC8H11N5
Molecular Weight177.21 g/mol
Exact Mass177.10
IUPAC Name3-[2-(methylamino)ethylamino]pyrazine-2-carbonitrile
SMILESCNCCNc1nccnc1C#N
InChIInChI=1S/C8H11N5/c1-10-2-3-12-8-7(6-9)11-4-5-13-8/h4-5,10H,2-3H2,1H3,(H,12,13)
InChIKeyKWXIAUMYQMGPDW-UHFFFAOYSA-N
XLogP-0.02
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[2-(methylamino)ethylamino]pyrazine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-methoxyethylamino)pyrazine-2-carbonitrile
CID 62671434
3-(octylamino)pyrazine-2-carbonitrile
CID 115568129
3-(2-pyridin-4-ylethylamino)pyrazine-2-carbonitrile
CID 62671465
3-[2-(2-hydroxypropylamino)ethylamino]pyrazine-2-carbonitrile
CID 104594134
2-[(3-cyanopyrazin-2-yl)amino]ethylurea
CID 78993991
3-(4-methoxybutylamino)pyrazine-2-carbonitrile
CID 62673581
3-[3-(4-methoxyphenoxy)propylamino]pyrazine-2-carbonitrile
CID 133284146
3-[2-(2,4,6-trimethylphenyl)ethylamino]pyrazine-2-carbonitrile
CID 133283692
3-(2-aminopropylamino)pyrazine-2-carbonitrile
CID 63731086
3-[2-[cyclopropyl(methyl)amino]ethylamino]pyrazine-2-carbonitrile
CID 55210942
N-[2-[(3-cyanopyrazin-2-yl)amino]ethyl]-4-methoxybenzamide
CID 133283671
3-[2-[(4-methoxyphenyl)methoxy]ethylamino]pyrazine-2-carbonitrile
CID 133444700

Frequently Asked Questions

What is the IUPAC name of 3-[2-(methylamino)ethylamino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[2-(methylamino)ethylamino]pyrazine-2-carbonitrile (CID 62674136) is 3-[2-(methylamino)ethylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[2-(methylamino)ethylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[2-(methylamino)ethylamino]pyrazine-2-carbonitrile is CNCCNc1nccnc1C#N.
What is the InChIKey of 3-[2-(methylamino)ethylamino]pyrazine-2-carbonitrile?
The InChIKey is KWXIAUMYQMGPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5/c1-10-2-3-12-8-7(6-9)11-4-5-13-8/h4-5,10H,2-3H2,1H3,(H,12,13).
What are the key properties of 3-[2-(methylamino)ethylamino]pyrazine-2-carbonitrile?
3-[2-(methylamino)ethylamino]pyrazine-2-carbonitrile has a molecular weight of 177.21 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methylamino)ethylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 62674136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).