2-amino-6-cyclohex-2-en-1-ylsulfanylpyridine-3,5-dicarbonitrile

C13H12N4S — CID 5229920

IUPAC2-amino-6-cyclohex-2-en-1-ylsulfanylpyridine-3,5-dicarbonitrile
SMILESN#Cc1cc(C#N)c(SC2C=CCCC2)nc1N
InChIInChI=1S/C13H12N4S/c14-7-9-6-10(8-15)13(17-12(9)16)18-11-4-2-1-3-5-11/h2,4,6,11H,1,3,5H2,(H2,16,17)
InChIKeyDZANITJRWXPXSI-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.61
Rot. Bonds2

About 2-amino-6-cyclohex-2-en-1-ylsulfanylpyridine-3,5-dicarbonitrile

2-amino-6-cyclohex-2-en-1-ylsulfanylpyridine-3,5-dicarbonitrile (PubChem CID 5229920) has the molecular formula C13H12N4S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-amino-6-cyclohex-2-en-1-ylsulfanylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-cyclohex-2-en-1-ylsulfanylpyridine-3,5-dicarbonitrile
PubChem CID5229920
Molecular FormulaC13H12N4S
Molecular Weight256.33 g/mol
Exact Mass256.08
IUPAC Name2-amino-6-cyclohex-2-en-1-ylsulfanylpyridine-3,5-dicarbonitrile
SMILESN#Cc1cc(C#N)c(SC2C=CCCC2)nc1N
InChIInChI=1S/C13H12N4S/c14-7-9-6-10(8-15)13(17-12(9)16)18-11-4-2-1-3-5-11/h2,4,6,11H,1,3,5H2,(H2,16,17)
InChIKeyDZANITJRWXPXSI-UHFFFAOYSA-N
XLogP2.61
TPSA86.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-cyclohex-2-en-1-ylsulfanylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-cyclohex-2-en-1-ylsulfanylpyridine-3,5-dicarbonitrile (CID 5229920) is 2-amino-6-cyclohex-2-en-1-ylsulfanylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-cyclohex-2-en-1-ylsulfanylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-cyclohex-2-en-1-ylsulfanylpyridine-3,5-dicarbonitrile is N#Cc1cc(C#N)c(SC2C=CCCC2)nc1N.
What is the InChIKey of 2-amino-6-cyclohex-2-en-1-ylsulfanylpyridine-3,5-dicarbonitrile?
The InChIKey is DZANITJRWXPXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4S/c14-7-9-6-10(8-15)13(17-12(9)16)18-11-4-2-1-3-5-11/h2,4,6,11H,1,3,5H2,(H2,16,17).
What are the key properties of 2-amino-6-cyclohex-2-en-1-ylsulfanylpyridine-3,5-dicarbonitrile?
2-amino-6-cyclohex-2-en-1-ylsulfanylpyridine-3,5-dicarbonitrile has a molecular weight of 256.33 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-cyclohex-2-en-1-ylsulfanylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 5229920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).