2-amino-1-(4-methylphenyl)-6-sulfanylidenepyridine-3,4,5-tricarbonitrile

C15H9N5S — CID 139226732

IUPAC2-amino-1-(4-methylphenyl)-6-sulfanylidenepyridine-3,4,5-tricarbonitrile
SMILESCc1ccc(-n2c(N)c(C#N)c(C#N)c(C#N)c2=S)cc1
InChIInChI=1S/C15H9N5S/c1-9-2-4-10(5-3-9)20-14(19)12(7-17)11(6-16)13(8-18)15(20)21/h2-5H,19H2,1H3
InChIKeyOBEOZYGIMGFSKA-UHFFFAOYSA-N
MW291.34 g/mol
LogP2.71
Rot. Bonds1

About 2-amino-1-(4-methylphenyl)-6-sulfanylidenepyridine-3,4,5-tricarbonitrile

2-amino-1-(4-methylphenyl)-6-sulfanylidenepyridine-3,4,5-tricarbonitrile (PubChem CID 139226732) has the molecular formula C15H9N5S and a molecular weight of 291.34 g/mol. Its IUPAC name is 2-amino-1-(4-methylphenyl)-6-sulfanylidenepyridine-3,4,5-tricarbonitrile.

Molecular Properties

Compound Name2-amino-1-(4-methylphenyl)-6-sulfanylidenepyridine-3,4,5-tricarbonitrile
PubChem CID139226732
Molecular FormulaC15H9N5S
Molecular Weight291.34 g/mol
Exact Mass291.06
IUPAC Name2-amino-1-(4-methylphenyl)-6-sulfanylidenepyridine-3,4,5-tricarbonitrile
SMILESCc1ccc(-n2c(N)c(C#N)c(C#N)c(C#N)c2=S)cc1
InChIInChI=1S/C15H9N5S/c1-9-2-4-10(5-3-9)20-14(19)12(7-17)11(6-16)13(8-18)15(20)21/h2-5H,19H2,1H3
InChIKeyOBEOZYGIMGFSKA-UHFFFAOYSA-N
XLogP2.71
TPSA102.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-methylphenyl)-6-sulfanylidenepyridine-3,4,5-tricarbonitrile?
The IUPAC name of 2-amino-1-(4-methylphenyl)-6-sulfanylidenepyridine-3,4,5-tricarbonitrile (CID 139226732) is 2-amino-1-(4-methylphenyl)-6-sulfanylidenepyridine-3,4,5-tricarbonitrile.
What is the SMILES notation for 2-amino-1-(4-methylphenyl)-6-sulfanylidenepyridine-3,4,5-tricarbonitrile?
The canonical SMILES for 2-amino-1-(4-methylphenyl)-6-sulfanylidenepyridine-3,4,5-tricarbonitrile is Cc1ccc(-n2c(N)c(C#N)c(C#N)c(C#N)c2=S)cc1.
What is the InChIKey of 2-amino-1-(4-methylphenyl)-6-sulfanylidenepyridine-3,4,5-tricarbonitrile?
The InChIKey is OBEOZYGIMGFSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N5S/c1-9-2-4-10(5-3-9)20-14(19)12(7-17)11(6-16)13(8-18)15(20)21/h2-5H,19H2,1H3.
What are the key properties of 2-amino-1-(4-methylphenyl)-6-sulfanylidenepyridine-3,4,5-tricarbonitrile?
2-amino-1-(4-methylphenyl)-6-sulfanylidenepyridine-3,4,5-tricarbonitrile has a molecular weight of 291.34 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-methylphenyl)-6-sulfanylidenepyridine-3,4,5-tricarbonitrile is sourced from PubChem (CID 139226732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).