Basic information
- Standard SMILES
CS(=O)c1nc(N)nc(-n2cccn2)c1C#N- InChIKey
UCKYYLFWAUCKPV-UHFFFAOYSA-N- Molecular formula
- C9H8N6OS
- Average molar mass
- 248.27 g/mol
Names & identifiers
- Preferred name
- 2-Amino-4-methanesulfinyl-6-pyrazol-1-yl-pyrimidine-5-carbonitrile
- IUPAC
- 2-amino-4-methylsulfinyl-6-pyrazol-1-ylpyrimidine-5-carbonitrile
Names & synonyms
SCHEMBL6445313UCKYYLFWAUCKPV-UHFFFAOYSA-N2-amino-4-methanesulfinyl-6-pyrazol-1-yl-pyrimidine-5-carbonitrile
Database identifiers
- PubChem CID
- 18507520
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 355
Related reactions
36 records
Linked notes
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