3-(2-methoxyethylamino)pyrazine-2-carbonitrile

C8H10N4O — CID 62671434

IUPAC3-(2-methoxyethylamino)pyrazine-2-carbonitrile
SMILESCOCCNc1nccnc1C#N
InChIInChI=1S/C8H10N4O/c1-13-5-4-12-8-7(6-9)10-2-3-11-8/h2-3H,4-5H2,1H3,(H,11,12)
InChIKeyXMKOXUGUFSCYFQ-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.41
Rot. Bonds4

About 3-(2-methoxyethylamino)pyrazine-2-carbonitrile

3-(2-methoxyethylamino)pyrazine-2-carbonitrile (PubChem CID 62671434) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 3-(2-methoxyethylamino)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(2-methoxyethylamino)pyrazine-2-carbonitrile
PubChem CID62671434
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name3-(2-methoxyethylamino)pyrazine-2-carbonitrile
SMILESCOCCNc1nccnc1C#N
InChIInChI=1S/C8H10N4O/c1-13-5-4-12-8-7(6-9)10-2-3-11-8/h2-3H,4-5H2,1H3,(H,11,12)
InChIKeyXMKOXUGUFSCYFQ-UHFFFAOYSA-N
XLogP0.41
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.41
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-(4-methoxybutylamino)pyrazine-2-carbonitrile
CID 62673581
3-[2-(methylamino)ethylamino]pyrazine-2-carbonitrile
CID 62674136
3-[3-(4-methoxyphenoxy)propylamino]pyrazine-2-carbonitrile
CID 133284146
3-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyrazine-2-carbonitrile
CID 103794641
3-[2-[(4-methoxyphenyl)methoxy]ethylamino]pyrazine-2-carbonitrile
CID 133444700
3-(octylamino)pyrazine-2-carbonitrile
CID 115568129
3-(3-phenoxypropylamino)pyrazine-2-carbonitrile
CID 55133688
3-[2-[(3-methoxyphenyl)methoxy]ethylamino]pyrazine-2-carbonitrile
CID 133390217
N-[2-[(3-cyanopyrazin-2-yl)amino]ethyl]-4-methoxybenzamide
CID 133283671
3-(2-pyridin-4-ylethylamino)pyrazine-2-carbonitrile
CID 62671465
3-[2-(2,4,6-trimethylphenyl)ethylamino]pyrazine-2-carbonitrile
CID 133283692
3-[2-(2-hydroxypropylamino)ethylamino]pyrazine-2-carbonitrile
CID 104594134

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethylamino)pyrazine-2-carbonitrile?
The IUPAC name of 3-(2-methoxyethylamino)pyrazine-2-carbonitrile (CID 62671434) is 3-(2-methoxyethylamino)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-(2-methoxyethylamino)pyrazine-2-carbonitrile?
The canonical SMILES for 3-(2-methoxyethylamino)pyrazine-2-carbonitrile is COCCNc1nccnc1C#N.
What is the InChIKey of 3-(2-methoxyethylamino)pyrazine-2-carbonitrile?
The InChIKey is XMKOXUGUFSCYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-13-5-4-12-8-7(6-9)10-2-3-11-8/h2-3H,4-5H2,1H3,(H,11,12).
What are the key properties of 3-(2-methoxyethylamino)pyrazine-2-carbonitrile?
3-(2-methoxyethylamino)pyrazine-2-carbonitrile has a molecular weight of 178.19 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethylamino)pyrazine-2-carbonitrile is sourced from PubChem (CID 62671434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).