potassium;(5-cyano-1,2,3,6-tetrahydropyridin-4-yl)azanide;ethane

C8H14KN3 — CID 142309977

IUPACpotassium;(5-cyano-1,2,3,6-tetrahydropyridin-4-yl)azanide;ethane
SMILESCC.N#CC1=C([NH-])CCNC1.[K+]
InChIInChI=1S/C6H8N3.C2H6.K/c7-3-5-4-9-2-1-6(5)8;1-2;/h8-9H,1-2,4H2;1-2H3;/q-1;;+1
InChIKeyYLWPPYZEKXLVGQ-UHFFFAOYSA-N
MW191.32 g/mol
LogP-1.16
Rot. Bonds

About potassium;(5-cyano-1,2,3,6-tetrahydropyridin-4-yl)azanide;ethane

potassium;(5-cyano-1,2,3,6-tetrahydropyridin-4-yl)azanide;ethane (PubChem CID 142309977) has the molecular formula C8H14KN3 and a molecular weight of 191.32 g/mol. Its IUPAC name is potassium;(5-cyano-1,2,3,6-tetrahydropyridin-4-yl)azanide;ethane.

Molecular Properties

Compound Namepotassium;(5-cyano-1,2,3,6-tetrahydropyridin-4-yl)azanide;ethane
PubChem CID142309977
Molecular FormulaC8H14KN3
Molecular Weight191.32 g/mol
Exact Mass191.08
IUPAC Namepotassium;(5-cyano-1,2,3,6-tetrahydropyridin-4-yl)azanide;ethane
SMILESCC.N#CC1=C([NH-])CCNC1.[K+]
InChIInChI=1S/C6H8N3.C2H6.K/c7-3-5-4-9-2-1-6(5)8;1-2;/h8-9H,1-2,4H2;1-2H3;/q-1;;+1
InChIKeyYLWPPYZEKXLVGQ-UHFFFAOYSA-N
XLogP-1.16
TPSA59.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 5-1.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of potassium;(5-cyano-1,2,3,6-tetrahydropyridin-4-yl)azanide;ethane?
The IUPAC name of potassium;(5-cyano-1,2,3,6-tetrahydropyridin-4-yl)azanide;ethane (CID 142309977) is potassium;(5-cyano-1,2,3,6-tetrahydropyridin-4-yl)azanide;ethane.
What is the SMILES notation for potassium;(5-cyano-1,2,3,6-tetrahydropyridin-4-yl)azanide;ethane?
The canonical SMILES for potassium;(5-cyano-1,2,3,6-tetrahydropyridin-4-yl)azanide;ethane is CC.N#CC1=C([NH-])CCNC1.[K+].
What is the InChIKey of potassium;(5-cyano-1,2,3,6-tetrahydropyridin-4-yl)azanide;ethane?
The InChIKey is YLWPPYZEKXLVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N3.C2H6.K/c7-3-5-4-9-2-1-6(5)8;1-2;/h8-9H,1-2,4H2;1-2H3;/q-1;;+1.
What are the key properties of potassium;(5-cyano-1,2,3,6-tetrahydropyridin-4-yl)azanide;ethane?
potassium;(5-cyano-1,2,3,6-tetrahydropyridin-4-yl)azanide;ethane has a molecular weight of 191.32 g/mol, XLogP of -1.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;(5-cyano-1,2,3,6-tetrahydropyridin-4-yl)azanide;ethane is sourced from PubChem (CID 142309977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).