3-(2-pyridin-4-ylethylamino)pyrazine-2-carbonitrile

C12H11N5 — CID 62671465

IUPAC3-(2-pyridin-4-ylethylamino)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1NCCc1ccncc1
InChIInChI=1S/C12H11N5/c13-9-11-12(17-8-7-15-11)16-6-3-10-1-4-14-5-2-10/h1-2,4-5,7-8H,3,6H2,(H,16,17)
InChIKeyGBPLVHKTRHAIIL-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.40
Rot. Bonds4

About 3-(2-pyridin-4-ylethylamino)pyrazine-2-carbonitrile

3-(2-pyridin-4-ylethylamino)pyrazine-2-carbonitrile (PubChem CID 62671465) has the molecular formula C12H11N5 and a molecular weight of 225.26 g/mol. Its IUPAC name is 3-(2-pyridin-4-ylethylamino)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(2-pyridin-4-ylethylamino)pyrazine-2-carbonitrile
PubChem CID62671465
Molecular FormulaC12H11N5
Molecular Weight225.26 g/mol
Exact Mass225.10
IUPAC Name3-(2-pyridin-4-ylethylamino)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1NCCc1ccncc1
InChIInChI=1S/C12H11N5/c13-9-11-12(17-8-7-15-11)16-6-3-10-1-4-14-5-2-10/h1-2,4-5,7-8H,3,6H2,(H,16,17)
InChIKeyGBPLVHKTRHAIIL-UHFFFAOYSA-N
XLogP1.40
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[(3-cyanopyrazin-2-yl)amino]ethyl]benzenesulfonamide
CID 60620125
3-[2-(methylamino)ethylamino]pyrazine-2-carbonitrile
CID 62674136
3-[2-(2-chlorophenyl)ethylamino]pyrazine-2-carbonitrile
CID 133284402
3-[2-(2,4,6-trimethylphenyl)ethylamino]pyrazine-2-carbonitrile
CID 133283692
3-(2-methoxyethylamino)pyrazine-2-carbonitrile
CID 62671434
2-[(3-cyanopyrazin-2-yl)amino]ethylurea
CID 78993991
3-[2-(5-bromo-2-fluorophenyl)ethylamino]pyrazine-2-carbonitrile
CID 133284298
3-(octylamino)pyrazine-2-carbonitrile
CID 115568129
3-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carbonitrile
CID 55110800
2-[4-[2-[(3-cyanopyrazin-2-yl)amino]ethyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 133284074
3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carbonitrile
CID 62866188
3-[(4-hydroxyphenyl)methylamino]pyrazine-2-carbonitrile
CID 115605243

Frequently Asked Questions

What is the IUPAC name of 3-(2-pyridin-4-ylethylamino)pyrazine-2-carbonitrile?
The IUPAC name of 3-(2-pyridin-4-ylethylamino)pyrazine-2-carbonitrile (CID 62671465) is 3-(2-pyridin-4-ylethylamino)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-(2-pyridin-4-ylethylamino)pyrazine-2-carbonitrile?
The canonical SMILES for 3-(2-pyridin-4-ylethylamino)pyrazine-2-carbonitrile is N#Cc1nccnc1NCCc1ccncc1.
What is the InChIKey of 3-(2-pyridin-4-ylethylamino)pyrazine-2-carbonitrile?
The InChIKey is GBPLVHKTRHAIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5/c13-9-11-12(17-8-7-15-11)16-6-3-10-1-4-14-5-2-10/h1-2,4-5,7-8H,3,6H2,(H,16,17).
What are the key properties of 3-(2-pyridin-4-ylethylamino)pyrazine-2-carbonitrile?
3-(2-pyridin-4-ylethylamino)pyrazine-2-carbonitrile has a molecular weight of 225.26 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyridin-4-ylethylamino)pyrazine-2-carbonitrile is sourced from PubChem (CID 62671465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).