3-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carbonitrile

C13H16N4 — CID 55110800

IUPAC3-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1NCCC1=CCCCC1
InChIInChI=1S/C13H16N4/c14-10-12-13(17-9-8-15-12)16-7-6-11-4-2-1-3-5-11/h4,8-9H,1-3,5-7H2,(H,16,17)
InChIKeyADUSGBISFRQOKC-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.65
Rot. Bonds4

About 3-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carbonitrile

3-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carbonitrile (PubChem CID 55110800) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 3-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carbonitrile
PubChem CID55110800
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name3-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1NCCC1=CCCCC1
InChIInChI=1S/C13H16N4/c14-10-12-13(17-9-8-15-12)16-7-6-11-4-2-1-3-5-11/h4,8-9H,1-3,5-7H2,(H,16,17)
InChIKeyADUSGBISFRQOKC-UHFFFAOYSA-N
XLogP2.65
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(cyclohexen-1-yl)ethylamino]methyl]pyridine-2-carbonitrile
CID 55128646
2-[2-(cyclohexen-1-yl)ethylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 63510279
3-[2-(cyclohexen-1-yl)ethylamino]-5,6-diethylpyridazine-4-carbonitrile
CID 80504517
3-(2-pyridin-4-ylethylamino)pyrazine-2-carbonitrile
CID 62671465
5-amino-6-[2-(cyclopenten-1-yl)ethylamino]pyridine-3-carbonitrile
CID 106166022
4-N-[2-(cyclohexen-1-yl)ethyl]pyrimidine-4,5,6-triamine
CID 19137103
3-[2-(cyclohexen-1-yl)ethylamino]-1-ethylpyrazin-2-one
CID 62939867
3-[2-(methylamino)ethylamino]pyrazine-2-carbonitrile
CID 62674136
N-[2-(cyclohexen-1-yl)ethyl]-1,3-thiazol-2-amine
CID 60658905
3-[2-(cyclohexen-1-yl)ethylamino]benzonitrile
CID 84617985
3-[2-(cyclohexen-1-yl)ethylamino]-5-fluorobenzonitrile
CID 102815512
4-[[2-(cyclohexen-1-yl)ethylamino]methyl]pyridine-2-carbonitrile
CID 63882721

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carbonitrile (CID 55110800) is 3-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carbonitrile is N#Cc1nccnc1NCCC1=CCCCC1.
What is the InChIKey of 3-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carbonitrile?
The InChIKey is ADUSGBISFRQOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c14-10-12-13(17-9-8-15-12)16-7-6-11-4-2-1-3-5-11/h4,8-9H,1-3,5-7H2,(H,16,17).
What are the key properties of 3-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carbonitrile?
3-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carbonitrile has a molecular weight of 228.30 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 55110800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).