1-amino-4,6-dimethyl-2-oxo-5-sulfanylpyridine-3-carbonitrile

C8H9N3OS — CID 14196562

IUPAC1-amino-4,6-dimethyl-2-oxo-5-sulfanylpyridine-3-carbonitrile
SMILESCc1c(S)c(C)n(N)c(=O)c1C#N
InChIInChI=1S/C8H9N3OS/c1-4-6(3-9)8(12)11(10)5(2)7(4)13/h13H,10H2,1-2H3
InChIKeyCKYWKMNWGFGQDK-UHFFFAOYSA-N
MW195.25 g/mol
LogP0.34
Rot. Bonds

About 1-amino-4,6-dimethyl-2-oxo-5-sulfanylpyridine-3-carbonitrile

1-amino-4,6-dimethyl-2-oxo-5-sulfanylpyridine-3-carbonitrile (PubChem CID 14196562) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is 1-amino-4,6-dimethyl-2-oxo-5-sulfanylpyridine-3-carbonitrile.

Molecular Properties

Compound Name1-amino-4,6-dimethyl-2-oxo-5-sulfanylpyridine-3-carbonitrile
PubChem CID14196562
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC Name1-amino-4,6-dimethyl-2-oxo-5-sulfanylpyridine-3-carbonitrile
SMILESCc1c(S)c(C)n(N)c(=O)c1C#N
InChIInChI=1S/C8H9N3OS/c1-4-6(3-9)8(12)11(10)5(2)7(4)13/h13H,10H2,1-2H3
InChIKeyCKYWKMNWGFGQDK-UHFFFAOYSA-N
XLogP0.34
TPSA71.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-4,6-dimethyl-2-oxo-5-sulfanylpyridine-3-carbonitrile?
The IUPAC name of 1-amino-4,6-dimethyl-2-oxo-5-sulfanylpyridine-3-carbonitrile (CID 14196562) is 1-amino-4,6-dimethyl-2-oxo-5-sulfanylpyridine-3-carbonitrile.
What is the SMILES notation for 1-amino-4,6-dimethyl-2-oxo-5-sulfanylpyridine-3-carbonitrile?
The canonical SMILES for 1-amino-4,6-dimethyl-2-oxo-5-sulfanylpyridine-3-carbonitrile is Cc1c(S)c(C)n(N)c(=O)c1C#N.
What is the InChIKey of 1-amino-4,6-dimethyl-2-oxo-5-sulfanylpyridine-3-carbonitrile?
The InChIKey is CKYWKMNWGFGQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS/c1-4-6(3-9)8(12)11(10)5(2)7(4)13/h13H,10H2,1-2H3.
What are the key properties of 1-amino-4,6-dimethyl-2-oxo-5-sulfanylpyridine-3-carbonitrile?
1-amino-4,6-dimethyl-2-oxo-5-sulfanylpyridine-3-carbonitrile has a molecular weight of 195.25 g/mol, XLogP of 0.34, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4,6-dimethyl-2-oxo-5-sulfanylpyridine-3-carbonitrile is sourced from PubChem (CID 14196562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).