2-amino-4-methyl-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile

C8H6N4S — CID 3005160

IUPAC2-amino-4-methyl-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile
SMILESCc1c(C#N)c(N)[nH]c(=S)c1C#N
InChIInChI=1S/C8H6N4S/c1-4-5(2-9)7(11)12-8(13)6(4)3-10/h1H3,(H3,11,12,13)
InChIKeyOHZLZIABVLGKLS-UHFFFAOYSA-N
MW190.23 g/mol
LogP1.38
Rot. Bonds

About 2-amino-4-methyl-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile

2-amino-4-methyl-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile (PubChem CID 3005160) has the molecular formula C8H6N4S and a molecular weight of 190.23 g/mol. Its IUPAC name is 2-amino-4-methyl-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-methyl-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile
PubChem CID3005160
Molecular FormulaC8H6N4S
Molecular Weight190.23 g/mol
Exact Mass190.03
IUPAC Name2-amino-4-methyl-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile
SMILESCc1c(C#N)c(N)[nH]c(=S)c1C#N
InChIInChI=1S/C8H6N4S/c1-4-5(2-9)7(11)12-8(13)6(4)3-10/h1H3,(H3,11,12,13)
InChIKeyOHZLZIABVLGKLS-UHFFFAOYSA-N
XLogP1.38
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.23
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_pyridone_A(54)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-methyl-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile (CID 3005160) is 2-amino-4-methyl-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-methyl-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-methyl-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile is Cc1c(C#N)c(N)[nH]c(=S)c1C#N.
What is the InChIKey of 2-amino-4-methyl-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is OHZLZIABVLGKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4S/c1-4-5(2-9)7(11)12-8(13)6(4)3-10/h1H3,(H3,11,12,13).
What are the key properties of 2-amino-4-methyl-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile?
2-amino-4-methyl-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile has a molecular weight of 190.23 g/mol, XLogP of 1.38, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 3005160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).